SCHEMBL11155609

SCHEMBL11155609

Nc1c(Br)cc(C(=O)OCCCCCCl)cc1CNCCCC1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.34
▸ NAAA Q02083 12/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ASAH1 Q13510 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 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
SCHEMBL11160453 0.99 EPHX1 (0.35) EPHX1NAAASIGMAR1HRH4HRH3
SCHEMBL11264437 0.94 SIGMAR1 (0.33) EPHX1NAAASIGMAR1HRH4HRH3
SCHEMBL11265198 0.92 EPHX1 (0.35) EPHX1NAAASIGMAR1HRH4HRH3
SCHEMBL11168503 0.89 SIGMAR1 (0.34) EPHX1NAAASIGMAR1HRH4HRH3
SCHEMBL11160501 0.84 LMNA (0.42) ESR1
SCHEMBL11154040 0.83 LMNA (0.43) ESR1
SCHEMBL11155491 0.82 HDAC6 (0.36) ESR1
SCHEMBL11149398 0.81 HDAC6 (0.37) EPHX1ESR1
SCHEMBL11155862 0.81 TTR (0.41) —
SCHEMBL11155993 0.80 TTR (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024282-B1 BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1983-05-18 — — EP disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 — — EP disclosed
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