SCHEMBL11224191

SCHEMBL11224191

COc1cc2c(c(OC)c1OC)C(COCCCl)SCC(C)C2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
ACHE P22303 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
DRD1 P21728 1/20 0.30
GSK3B P49841 2/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL11221687 0.89 ATM (0.37) ATMACHETDP1MEN1KMT2A
SCHEMBL11225168 0.81 ATM (0.42) ATMACHETDP1MEN1KMT2A
SCHEMBL11229370 0.81 ATM (0.35) ATMTDP1DRD1
SCHEMBL11231607 0.77 ATM (0.37) ATMACHETDP1MEN1KMT2A
SCHEMBL11230699 0.77 PTGS2 (0.38) ACHEMEN1KMT2ALMNADRD1
SCHEMBL11225535 0.73 ACHE (0.33) ACHEMEN1KMT2A
SCHEMBL11218531 0.69
SCHEMBL11221698 0.69 SMN1; SMN2 (0.36) ATMTDP1DRD1
SCHEMBL11226721 0.69
SCHEMBL11220856 0.69 LMNA (0.33) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352805-A BENZOXEPINE DERIVATIVES THE UPJOHN COMPANY (US) 1982-10-05 US disclosed
US-4312868-A HYPOTENSIVE, ANTIPSYCHOTIC THE UPJOHN COMPANY (US) 1982-01-26 US disclosed
US-4251526-A HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC PHARMACIA & UPJOHN COMPANY 1981-02-17 US disclosed
US-4250181-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-02-10 US disclosed
US-4250175-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS PHARMACIA & UPJOHN COMPANY 1981-02-10 US disclosed
US-4247553-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-01-27 US disclosed
US-4179510-A ISOCHROMANS AND 2-BENZOXEPINS THE UPJOHN COMPANY (US) 1979-12-18 US disclosed
US-4166062-A HYPOTENSIVE AGENTS, CNS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-08-28 US disclosed
US-4153612-A 2-Benzoxepins THE UPJOHN COMPANY (US) 1979-05-08 US disclosed