SCHEMBL13236544

SCHEMBL13236544

CNc1ccc(C)c(N2C(=O)c3ccc(COC)cc3C2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ PDCD1 Q15116 8/20 0.36
▸ CD274 Q9NZQ7 8/20 0.36
▸ ANPEP P15144 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL12371878 0.75 KMT2A (0.55) ESR1ESR2MEN1KMT2APOLB
SCHEMBL14570937 0.75 ESR1 (0.48) ESR1ESR2MEN1KMT2APOLB
SCHEMBL18806464 0.68 KMT2A (0.51) MEN1KMT2APOLBPDCD1CD274
SCHEMBL10882430 0.67 GRM1 (0.57) ESR1ESR2MEN1KMT2APOLB
SCHEMBL16125853 0.67 KMT2A (0.46) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11728432 0.66 SCD (0.48) ALDH1A1NPC1TSHRRAB9A
SCHEMBL24801338 0.66 PTPN1 (0.43) —
SCHEMBL28885894 0.66 CA1 (0.56) ESR1ESR2MEN1KMT2APOLB
SCHEMBL29993644 0.66 CA1 (0.56) ESR1ESR2MEN1KMT2APOLB
SCHEMBL14944810 0.66 POLB (0.67) MEN1KMT2APOLBALDH1A1HPGD

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-7754196-B2 Cosmetic composition comprising fiber L'OREAL (FR) 2010-07-13 — — US disclosed
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