SCHEMBL9518671

SCHEMBL9518671

CCc1cc([N+](=O)[O-])ccc1COC=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
TSHR P16473 1/20 0.40
CYP19A1 P11511 5/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ERN1 O75460 1/20 0.38
PTGS2 P35354 2/20 0.38
CYP3A4 P08684 1/20 0.38
NPC1 O15118 1/20 0.37
PTGS1 P23219 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 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
SCHEMBL9730846 0.84 ALDH1A1 (0.51) HTTALDH1A1TDP1TSHRMEN1
SCHEMBL95714 0.83 CYP1A2 (0.54) POLBHTTALDH1A1TDP1TSHR
SCHEMBL16126092 0.81 HSD17B10 (0.51) POLBALDH1A1TDP1MEN1MAPT
SCHEMBL7566464 0.81 POLB (0.59) POLBHTTALDH1A1TDP1TSHR
SCHEMBL24519723 0.78 CYP19A1 (0.44) HTTALDH1A1CYP19A1MAPT
SCHEMBL9518662 0.78 POLB (0.45) POLBHTTALDH1A1TDP1TSHR
SCHEMBL28113258 0.76 POLB (0.50) POLBHTTALDH1A1TDP1MAPT
SCHEMBL9732283 0.76 KAT2B (0.42) POLBHTTALDH1A1TDP1MEN1
SCHEMBL11317000 0.76 HTT (0.49) POLBHTTALDH1A1TDP1TSHR
SCHEMBL28218218 0.75 POLB (0.52) POLBHTTALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331394-B1 PROCESS FOR PREPARING 2 BETA-SUBSTITUTED-METHYLPENICILLIN DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1993-08-04 EP disclosed
US-4898939-A Process for preparing 2β-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
EP-0331394-A1 Process for preparing 2 beta-substituted-methylpenicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1989-09-06 EP disclosed