SCHEMBL9714495

SCHEMBL9714495

CC(C=O)C(C)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.56
GABRB2 P47870 2/20 0.56
TSHR P16473 2/20 0.50
POLB P06746 2/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
LMNA P02545 4/20 0.37
CA2 P00918 3/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
BLM P54132 2/20 0.37
HIF1A Q16665 2/20 0.37
CA1 P00915 2/20 0.37
PTGS1 P23219 2/20 0.37
FAAH O00519 1/20 0.37
CYP1A2 P05177 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL11597764 0.82 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBPTPN2
SCHEMBL4378835 0.81 GABRA1 (0.58) GABRA1GABRB2TSHRPOLBTRIM24
SCHEMBL3415686 0.78 GABRA1 (0.65) GABRA1GABRB2TSHRPOLBPTPN2
Acetaldehyde SCHEMBL28918936 0.77 GABRA1 (0.78) GABRA1GABRB2TSHRPOLBTRIM24
SCHEMBL8567329 0.76 GABRA1 (0.62) GABRA1GABRB2TSHRPOLBPTPN2
SCHEMBL17749156 0.75 ADRB2 (0.41) TSHRLMNACYP3A4BLMHIF1A
SCHEMBL1332510 0.74 GABRA1 (0.48) GABRA1GABRB2TSHRPOLBTRIM24
SCHEMBL2022379 0.72 GABRA1 (0.58) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL2019469 0.72 GABRA1 (0.58) GABRA1GABRB2TSHRPOLBLMNA
SCHEMBL25241487 0.72 GABRA1 (0.46) GABRA1GABRB2TSHRPOLBTRIM24

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166210-A QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-11-24 US disclosed
EP-0397697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-07-03 EP disclosed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US disclosed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 EP disclosed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed