SCHEMBL11614514

SCHEMBL11614514

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OGG1 O15527 1/20 0.38
▸ CASR P41180 1/20 0.36
▸ HSD11B1 P28845 3/20 0.36
▸ HSD11B2 P80365 3/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ WDR5 P61964 1/20 0.36
▸ SLC6A4 P31645 3/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ PGR P06401 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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 0.84 CETP (0.40) POLBKCNH2
SCHEMBL11616008 0.82 LMNA (0.35) CNR1CNR2KMT2AL3MBTL1
SCHEMBL11610243 0.81 PPARG (0.40) SLC6A4KDM4EL3MBTL1SLC6A2SLC6A3
SCHEMBL11516078 0.79 OGG1 (0.38) OGG1CASRHSD11B1HSD11B2CNR1
SCHEMBL11615063 0.76 CNR1 (0.41) OGG1CASRCNR1CNR2POLB
SCHEMBL8371469 0.73 PGR (0.44) OGG1HSD11B1HSD11B2CNR1CNR2
SCHEMBL11610467 0.73 CASR (0.35) CASRCNR1KMT2A
SCHEMBL2318592 0.73 WDR5 (0.42) OGG1POLBWDR5SLC6A4HTR2A
SCHEMBL11661775 0.72 RELA (0.35) OGG1CASRCNR1CNR2POLB
SCHEMBL9588829 0.71 HSD11B1 (0.49) OGG1HSD11B1HSD11B2CNR1CNR2

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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