SCHEMBL11224044

SCHEMBL11224044

CCC(CCCCl)C1(c2ccc(F)cc2)OCCCc2cc(OC)c(OC)cc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.32
MAPK10 P53779 1/20 0.32
ABCB1 P08183 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
MAOB P27338 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL11217805 0.95 KMT2A (0.34) KMT2ATP53MAPK10ABCB1KDM4C
SCHEMBL11225377 0.84 KMT2A (0.35) KMT2AMAPK10ABCB1KDM4CMAOB
SCHEMBL11226040 0.81 AKT1 (0.32)
SCHEMBL11225165 0.80 KMT2A (0.34) KMT2ATP53ABCB1KDM4CMAOB
SCHEMBL11224499 0.79 KMT2A (0.36) KMT2AMAPK10ABCB1KDM4CMAOB
SCHEMBL11225546 0.78 SLC6A4 (0.41)
SCHEMBL11220962 0.77 SLC6A4 (0.40)
SCHEMBL11222515 0.74 AKT1 (0.33)
SCHEMBL11224396 0.72 SLC6A4 (0.41)
SCHEMBL11223955 0.72 SLC6A4 (0.41)

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 7 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-4251526-A HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC PHARMACIA & UPJOHN COMPANY 1981-02-17 US disclosed
US-4250175-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS PHARMACIA & UPJOHN COMPANY 1981-02-10 US disclosed
US-4250181-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 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