SCHEMBL10420797

SCHEMBL10420797

O=C(O)C(CCOc1ccc(F)cc1)Cc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.44
▸ PIN1 Q13526 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ PPARG P37231 3/20 0.43
▸ PTGES O14684 2/20 0.43
▸ ALOX5 P09917 2/20 0.43
▸ HPGD P15428 1/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CXCR2 P25025 1/20 0.41
▸ KCNA3 P22001 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PPARA Q07869 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9556717 0.85 CTNNB1 (0.48) CTNNB1FFAR1AKR1B1PARP10HRH4
SCHEMBL7353938 0.85 CTNNB1 (0.48) CTNNB1FFAR1AKR1B1PARP10HRH4
SCHEMBL10422428 0.80 HRH4 (0.47) PIN1HRH4
SCHEMBL10422431 0.79 REN (0.51) PIN1HRH4
SCHEMBL12812630 0.78 PPARG (0.55) FFAR1PPARGPTGESALOX5PPARA
SCHEMBL6677809 0.77 CTNNB1 (0.63) CTNNB1HRH4KMT2AMEN1TDP1
SCHEMBL9556813 0.76 PARP10 (0.51) CTNNB1FFAR1AKR1B1PARP10PPARG
SCHEMBL9556809 0.76 PARP10 (0.51) CTNNB1FFAR1AKR1B1PARP10PPARG
SCHEMBL10870476 0.76 TDP1 (0.47) CTNNB1HRH4PPARGPTGESALOX5
SCHEMBL10522072 0.76 HRH4 (0.50) CTNNB1FFAR1AKR1B1HRH4PPARG

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-4904660-A HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 — — US disclosed
EP-0281316-A2 Renin inhibitors YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-07 — — EP disclosed
Send feedback