SCHEMBL9506114

SCHEMBL9506114

O=C(O)c1ccc(CC=CCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.62
TOP1 P11387 1/20 0.53
TSHR P16473 4/20 0.52
DAO P14920 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 2/20 0.52
SRD5A2 P31213 4/20 0.52
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
HPGD P15428 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ARG2 P78540 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL5020596 1.00 MAOB (0.62) MAOBTOP1TSHRDAONAPRT
SCHEMBL1984844 0.85 RARA (0.55) MAOBTSHRDAONAPRTALDH1A1
SCHEMBL1984843 0.85 RARA (0.55) MAOBTSHRDAONAPRTALDH1A1
SCHEMBL1981144 0.85 RARA (0.58) MAOBTSHRDAONAPRTALDH1A1
SCHEMBL1981146 0.85 RARA (0.58) MAOBTSHRDAONAPRTALDH1A1
SCHEMBL5805280 0.83 ALDH1A1 (0.52) TSHRALDH1A1SRD5A2NR4A1TP53
SCHEMBL5576096 0.83 ALDH1A1 (0.52) TSHRALDH1A1SRD5A2NR4A1TP53
SCHEMBL29161415 0.83 NR4A2 (0.61) MAOBSRD5A2NR4A1NR4A2NR4A3
SCHEMBL10639379 0.82 NAPRT (0.57) TSHRNAPRTALDH1A1TP53CA1
SCHEMBL10639390 0.82 NAPRT (0.57) TSHRNAPRTALDH1A1TP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4757078-A Antiinflammatory agents, psoriasis E. R. SQUIBB & SONS, INC. (US) 1988-07-12 US disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed