SCHEMBL11610243

SCHEMBL11610243

[CH]=C(Cl)C(O)C(C)(C)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.40
▸ PPARA Q07869 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PNMT P11086 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ MRGPRX4 Q96LA9 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
SCHEMBL11628654 0.86 CETP (0.40) CETPF10
SCHEMBL11614514 0.81 OGG1 (0.38) KDM4ESLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL11517432 0.79 ATM (0.40) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL11616008 0.79 LMNA (0.35) PPARGPPARAALDH1A1L3MBTL1ATM
SCHEMBL11612975 0.76 PPARG (0.42) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL11570463 0.74 KDM4E (0.50) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL2737127 0.73 L3MBTL1 (0.47) PPARGPPARAKDM4ESLC6A2SLC6A4
SCHEMBL11615927 0.73 KDM4E (0.47) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL11610467 0.73 CASR (0.35) PPARGPPARAALDH1A1GAAMAPT
SCHEMBL11611862 0.72 HTR2A (0.50) SLC6A4MAOBCETPMAPTPNMT

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-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-4029681-A 13,14-Didehydro-PG analogs THE UPJOHN COMPANY (US) 1977-06-14 — — US disclosed
US-4018803-A 13,14-Didehydro-PG3 compounds THE UPJOHN COMPANY (US) 1977-04-19 — — US disclosed
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