SCHEMBL11611825

SCHEMBL11611825

[CH2]CC(O)C(C)(C)Oc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.39
▸ CNR1 P21554 2/20 0.36
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PPARA Q07869 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32

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
SCHEMBL11611192 0.82 LMNA (0.40) CNR1ADRB2ADRB1ADRB3PPARA
SCHEMBL11778476 0.81 CASR (0.35) CASRCNR1GAAMEN1KMT2A
SCHEMBL11665566 0.79 NFE2L2 (0.34) CASRCNR1GAAMEN1KMT2A
SCHEMBL24225606 0.74 ALDH1A1 (0.37) CASRCNR1GAAMEN1KMT2A
SCHEMBL11518124 0.72 CASR (0.36) CASRCNR1ADRB2ADRB1ADRB3
SCHEMBL11612975 0.72 PPARG (0.42) GAAPPARAALDH1A1KDM4EPPARG
SCHEMBL11610467 0.71 CASR (0.35) CASRCNR1ADRB2ADRB1ADRB3
SCHEMBL11615063 0.71 CNR1 (0.41) CASRCNR1KMT2AKDM4E
SCHEMBL11616522 0.70 TRPA1 (0.40) CASRNPC1KDM4E
SCHEMBL11660365 0.70 GAA (0.34) CASRCNR1GAAPPARAMMP1

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 7 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-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — 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-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
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