SCHEMBL11610509

SCHEMBL11610509

[CH]=C(Cl)C(O)CCc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.41
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ PTGFR P43088 1/20 0.36
▸ CYP19A1 P11511 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AOC3 Q16853 2/20 0.35
▸ AOC2 O75106 1/20 0.35
▸ MAOA P21397 1/20 0.35

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
SCHEMBL11610284 0.81 ANPEP (0.42) KCNH2
SCHEMBL14327418 0.76 TAAR1 (0.50) TAAR1PTGS1PTGS2MAOBAOC3
SCHEMBL21447942 0.76 FFAR1 (0.46) TAAR1PTGER1PTGFRKDM4EMEN1
SCHEMBL11717561 0.74 DRD2 (0.41) KDM4EMEN1KMT2AL3MBTL1
SCHEMBL408931 0.73 TAAR1 (0.43) TAAR1PTGS1PTGS2MAOBPTGER1
SCHEMBL28317527 0.73 FFAR1 (0.40) TAAR1PTGER1PTGFRKDM4EMEN1
SCHEMBL10585900 0.72 TYR (0.48) TAAR1PTGS1PTGS2KCNH2TMEM97
SCHEMBL18055675 0.72 TAAR1 (0.52) TAAR1PTGS1PTGS2MAOBAOC3
SCHEMBL31752269 0.72 TAAR1 (0.42) TAAR1PTGS1PTGS2MAOBCYP19A1
SCHEMBL11514555 0.72 MAOB (0.43) TAAR1PTGS1PTGS2MAOBPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 — — US disclosed
US-4107191-A PROSTAGLANDINS, BLOOD PRESSURE LOWERING, LABOR INDUCTION, REPRODUCTIVE-CYCLE REGULATION, GASTRIC ANTISECRETORY THE UPJOHN COMPANY (US) 1978-08-15 — — US disclosed
US-4104474-A PROSTAGLANDINS, HYPOTENSIVE, OXYTOCICS, ANTIFERTILITY, ANTISECRETORY THE UPJOHN COMPANY (US) 1978-08-01 — — US disclosed
US-4099015-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4086258-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-25 — — US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 — — US disclosed
US-4081478-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-28 — — US disclosed
US-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 — — US disclosed
US-4058564-A PROSTAGLANDINS; HYPOTENSIVE, LABOR INDUCERS, ANTISECRETORY THE UPJOHN COMPANY (US) 1977-11-15 — — US disclosed
US-4018803-A 13,14-Didehydro-PG3 compounds THE UPJOHN COMPANY (US) 1977-04-19 — — US disclosed
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