SCHEMBL9730846

SCHEMBL9730846

Cc1cc([N+](=O)[O-])ccc1COC=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 4/20 0.49
MAPT P10636 8/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CRHBP P24387 3/20 0.40
CRHR2 Q13324 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 2/20 0.40
ACHE P22303 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9518671 0.84 POLB (0.45) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL95714 0.83 CYP1A2 (0.54) ALDH1A1TSHRTDP1MAPTMEN1
SCHEMBL16126092 0.81 HSD17B10 (0.51) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL14894155 0.79 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL25378334 0.78 ALDH1A1 (0.51) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL9730842 0.78 ALDH1A1 (0.51) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL28226713 0.78 ALDH1A1 (0.51) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL11188405 0.78 ALDH1A1 (0.64) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL10139118 0.78 ALDH1A1 (0.64) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL1827226 0.77 ALDH1A1 (0.50) ALDH1A1TSHRTDP1CYP3A4MAPT

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
EP-0272016-B1 2BETA-SUBSTITUTED-METHYLPENICILLANIC ACID DERIVATIVES, AND SALTS AND ESTERS THEREOF TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-04-08 EP disclosed
EP-0273599-B1 PROCESS FOR PREPARING 2BETA-SUBSTITUTED-METHYL-PENICILLIN DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-04-01 EP disclosed
US-4933444-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-06-12 US disclosed
US-4891369-A BETA-LACTAMASE INHIBITORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1990-01-02 US disclosed
EP-0273599-A1 Process for preparing 2beta-substituted-methyl-penicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-07-06 EP disclosed
EP-0272016-A1 2beta-substituted-methylpenicillanic acid derivatives, and salts and esters thereof TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-22 EP disclosed