SCHEMBL11225508

SCHEMBL11225508

CCC(CCCCl)C1OCCc2cc(OC)c(OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN2 Q9H2S1 4/20 0.39
KCNN3 Q9UGI6 4/20 0.39
KCNN1 Q92952 2/20 0.39
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAOA P21397 2/20 0.36
KLK7 P49862 1/20 0.36
SLC18A2 Q05940 2/20 0.35
TSHR P16473 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
SCHEMBL11222256 0.93 KCNN2 (0.38) KCNN2KCNN3KCNN1KDM4EALDH1A1
SCHEMBL11225822 0.80 SLC18A2 (0.40) KCNN2KCNN3KCNN1LMNAKDM4E
SCHEMBL11227592 0.76 KCNN2 (0.36) KCNN2KCNN3KCNN1LMNAALDH1A1
SCHEMBL11220460 0.75 KCNN2 (0.44) KCNN2KCNN3KCNN1ALDH1A1MAOA
SCHEMBL11223896 0.74 KLK7 (0.37) KCNN2KCNN3KCNN1KDM4EALDH1A1
SCHEMBL11217845 0.74 KCNN2 (0.43) KCNN2KCNN3KCNN1ALDH1A1MAOA
SCHEMBL11221051 0.73 SLC18A2 (0.39) KCNN2KCNN3KCNN1KDM4EALDH1A1
SCHEMBL11226035 0.73 KLK7 (0.40) KCNN2KCNN3KCNN1KDM4EALDH1A1
SCHEMBL9688216 0.71 KCNN2 (0.43) KCNN2KCNN3KCNN1LMNAKDM4E
SCHEMBL7290833 0.71 ALDH1A1 (0.43) KCNN2KCNN3KCNN1LMNAKDM4E

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 8 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-4153612-A 2-Benzoxepins THE UPJOHN COMPANY (US) 1979-05-08 US disclosed