SCHEMBL11615927

SCHEMBL11615927

[CH]=C(Cl)C(O)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ MAOB P27338 1/20 0.46
▸ AOC3 Q16853 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PPARG P37231 2/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL11451738 0.81 PPARG (0.56) KDM4EMRGPRX4ALDH1A1GAAPPARG
SCHEMBL5575173 0.79 KDM4E (0.49) KDM4EMAOBAOC3MRGPRX4L3MBTL1
SCHEMBL11612841 0.79 WDR5 (0.47) KDM4EMAOBAOC3
SCHEMBL19750630 0.79 KDM4E (0.56) KDM4EMAOBAOC3MRGPRX4L3MBTL1
SCHEMBL29847359 0.79 KDM4E (0.56) KDM4EMAOBAOC3MRGPRX4L3MBTL1
SCHEMBL4046553 0.79 KDM4E (0.56) KDM4EMAOBAOC3MRGPRX4L3MBTL1
SCHEMBL817449 0.78 KDM4E (0.48) KDM4EMAOBAOC3MRGPRX4L3MBTL1
SCHEMBL11518342 0.78 MAOB (0.50) KDM4EMAOBAOC3MRGPRX4L3MBTL1
SCHEMBL3148903 0.78 KDM4E (0.48) KDM4EMAOBAOC3MRGPRX4L3MBTL1
SCHEMBL817454 0.78 KDM4E (0.48) KDM4EMAOBAOC3MRGPRX4L3MBTL1

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 11 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-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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