SCHEMBL9707080

SCHEMBL9707080

CC(CSc1cc(Cl)c(O)c(Cl)c1)C(=O)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SPR P35270 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ DPP7 Q9UHL4 2/20 0.34
▸ ACE P12821 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX12 P18054 1/20 0.34

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
SCHEMBL9707067 0.82 KDM4E (0.42) HPGDKMT2AHSD17B10MEN1MAPT
SCHEMBL9707047 0.79 HSD17B10 (0.42) HPGDKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL9707178 0.73 RAB9A (0.63) HPGDKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL6565612 0.66 HPGD (0.53) HPGDKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL9550786 0.65 HSD17B10 (0.36) SMN1; SMN2HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL9550713 0.65 THRB (0.37) HPGDSMN1; SMN2HSD17B10CYP1A2CYP3A4
SCHEMBL9512386 0.65 SMN1; SMN2 (0.49) HPGDKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL10017777 0.63 EPHX2 (0.56) GAACYP3A4CYP2C19
SCHEMBL8485613 0.63 MMP1 (0.41) HPGDGAAHSD17B10CYP3A4CYP2C19
SCHEMBL18909852 0.63 EPHX2 (0.56) GAACYP3A4CYP2C19

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-0190685-B1 HETEROCYCLIC AMIDES G.D. Searle & Co. (US) 1992-07-01 — — EP disclosed
US-4981853-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS G. D. SEARLE & CO. (US) 1991-01-01 — — US disclosed
US-4959364-A Method of treating inflammation, allergy, asthma and proliferative skin disease using heterocyclic amides G. D. SEARLE & CO. (US) 1990-09-25 — — US disclosed
EP-0190685-A2 Heterocyclic amides G.D. Searle & Co. (US) 1986-08-13 — — EP disclosed
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