SCHEMBL11818774

SCHEMBL11818774

Cc1ccccc1CSc1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.46
▸ MAPT P10636 5/20 0.45
▸ CYP3A4 P08684 4/20 0.45
▸ CYP2C19 P33261 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ TP53 P04637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ DAO P14920 1/20 0.43
▸ HPGD P15428 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ THRB P10828 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
SCHEMBL11815267 0.85 KMT2A (0.47) ALDH1A1MAPTCYP3A4CYP2C19MEN1
SCHEMBL6794925 0.83 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4CYP2C19MEN1
SCHEMBL11814074 0.78 TP53 (0.56) ALDH1A1MAPTCYP3A4CYP2C19MEN1
SCHEMBL11819492 0.77 DAO (0.43) ALDH1A1DAOHPGDPOLB
SCHEMBL11821792 0.75 MAPT (0.48) ALDH1A1MAPTCYP3A4CYP2C19MEN1
SCHEMBL15054482 0.75 MAPT (0.62) MAPTCYP3A4MEN1KMT2ATP53
SCHEMBL11816111 0.75 TP53 (0.43) ALDH1A1MAPTCYP3A4CYP2C19MEN1
SCHEMBL11815968 0.75 MAPT (0.45) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL11817074 0.74 DAO (0.41) ALDH1A1MAPTDAOHPGDSMN1; SMN2
SCHEMBL6790960 0.73 KMT2A (0.58) ALDH1A1MAPTCYP3A4CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3954994-A Intermediates for preparing hipolipemic agents and method of lowering the blood lipid level in mammals with said agents PFIZER INC. (US) 1976-05-04 — — US disclosed
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