SCHEMBL11187036

SCHEMBL11187036

CCC(C(=O)OCCOC(=O)c1cc(Br)c(N)c(CNC2CCCCC2)c1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 4/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ ALOX15 P16050 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TSHR P16473 2/20 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
SCHEMBL11256327 0.91 PTGS2 (0.46) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL11154142 0.88 PTGS2 (0.43) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL11170156 0.87 PTGS1 (0.40) LMNAHIF1APTGS1PTGS2CYP3A4
SCHEMBL11165820 0.85 PTGS1 (0.38) MEN1KMT2ALMNAHIF1APTGS1
SCHEMBL11191276 0.85 MEN1 (0.37) MEN1KMT2ALMNACYP1A2CYP2D6
SCHEMBL11199131 0.85 MEN1 (0.37) MEN1KMT2ALMNACYP1A2CYP2D6
Benzophenone SCHEMBL11256332 0.84 LMNA (0.41) MEN1KMT2ALMNACYP1A2CYP2D6
SCHEMBL11175333 0.84 MEN1 (0.38) MEN1KMT2ALMNACYP1A2CYP2D6
SCHEMBL11188751 0.83 HRH3 (0.37) MEN1KMT2APTGS1PTGS2TDP1
SCHEMBL11171928 0.82 PTGS1 (0.39) LMNACYP1A2CYP2D6HIF1APTGS1

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 1 patent. 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
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