SCHEMBL2012787

SCHEMBL2012787

OCCc1ccc2ccccc2c1Br

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
NCEH1 Q6PIU2 2/20 0.38
HPRT1 P00492 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HNF4A P41235 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7388022 0.89 POLB (0.48) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL596646 0.86 POLB (0.57) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL7056431 0.82 POLB (0.48) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL14151518 0.81 POLB (0.47) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL6680376 0.81 POLB (0.47) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL20564653 0.81 TAAR1 (0.48) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL4269770 0.79 CYP1A2 (0.53) POLBALDH1A1HSD17B10TDP1RAB9A
SCHEMBL128082 0.78 PTPN22 (0.52)
SCHEMBL1683213 0.78 HSD17B10 (0.52) POLBALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL6680282 0.78 NCEH1 (0.46) POLBALDH1A1TDP1RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed
EP-1028962-B1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2003-04-23 EP disclosed
EP-1023062-B1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2002-12-18 EP disclosed
US-6399597-B1 CARBAPENICILLIN ANTIBIOTICS MERCK & CO., INC. 2002-06-04 US disclosed
EP-1023062-A4 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1032383-A4 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1028962-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
US-6294529-B1 ANTIBIOTICS BACTERICIDES MERCK & CO., INC. 2001-09-25 US disclosed
EP-1027352-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-09-19 EP disclosed
US-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed
EP-1027352-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-16 EP disclosed
EP-1023062-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-2000037433-A1 INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-06-29 WO disclosed
US-6022822-A Organotin compound and catalyst for transesterification comprising the same RYOJI NOYORI (JP) 2000-02-08 US disclosed
US-6008212-A ANTIBIOTICS AGAINST METHICILLIN RESISTANT STAPHYLOCOCCI MERCK & CO., INC. (US) 1999-12-28 US disclosed
US-5994345-A ANTIBIOTICS MERCK & CO., INC. (US) 1999-11-30 US disclosed
WO-1999020269-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMEMT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999020627-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999020628-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999018954-A1 ANTIBACTERIAL CARBAPENEMS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-22 WO disclosed