SCHEMBL10983045

SCHEMBL10983045

CC(C(=O)OCC(=O)N1CCC(c2ccccc2)CC1)c1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.46
▸ DPP7 Q9UHL4 1/20 0.46
▸ KCNH2 Q12809 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ PRCP P42785 4/20 0.42
▸ SCD5 Q86SK9 1/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
Bifeprofen SCHEMBL2109705 0.84 L3MBTL1 (0.44) DPP4DPP7RAB9ASMN1; SMN2NPC1
SCHEMBL10980222 0.83 ALDH1A1 (0.50) MAPTRAB9ANPC1ALDH1A1HTT
Bifeprofen SCHEMBL10989641 0.83 NFE2L2 (0.45) DPP4DPP7RAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL10990311 0.79 MAPK1 (0.45) DPP4DPP7PRCPSCD5ADAMTS5
SCHEMBL10401162 0.70 ALDH1A1 (0.50) KCNH2HRH3PRCPADAMTS5MAPT
SCHEMBL10981141 0.70 PTGS2 (0.66) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL17787758 0.69 ALDH1A1 (0.59) KCNH2HRH3ADAMTS5MAPTRAB9A
SCHEMBL4034093 0.68 ALDH1A1 (0.57) KCNH2HRH3ADAMTS5MAPTRAB9A
SCHEMBL8903163 0.68 YAP1 (0.58) KCNH2HRH3ADAMTS5RAB9ASMN1; SMN2
SCHEMBL15840473 0.68 ADAMTS5 (0.58) KCNH2HRH3PRCPADAMTS5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4510142-A ANTIINFLAMMATORY OR ANALGESIC AGNET PIERRE FABRE S.A. (FR) 1985-04-09 — — US claimed
US-4510142-A ANTIINFLAMMATORY OR ANALGESIC AGNET PIERRE FABRE S.A. (FR) 1985-04-09 — — US disclosed
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