SCHEMBL11603164

SCHEMBL11603164

CCCNCCC(C)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 5/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ADRB2 P07550 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ UTS2R Q9UKP6 2/20 0.35
▸ FFAR2 O15552 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 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
SCHEMBL11489175 0.91 SMN1; SMN2 (0.44) AKT1MEN1KMT2ASMN1; SMN2KCNA5
SCHEMBL11488016 0.89 AKT1 (0.41) AKT1MEN1KMT2AADRB2UTS2R
SCHEMBL11489538 0.86 FFAR1 (0.39) MEN1KMT2AUTS2R
SCHEMBL11485866 0.85 DRD2 (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL11494299 0.84 AKT1 (0.50) AKT1MEN1KMT2AADRB2UTS2R
SCHEMBL11487006 0.84 MITF (0.38) MEN1KMT2A
SCHEMBL11492694 0.84 HTT (0.48) AKT1MEN1KMT2AUTS2R
SCHEMBL11494123 0.83 UTS2R (0.47) UTS2R
SCHEMBL11496377 0.81 SLC6A4 (0.45) AKT1ADRB2UTS2RFFAR2
SCHEMBL11604596 0.81 UTS2R (0.46) UTS2R

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
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 — — US disclosed
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