SCHEMBL11312023

SCHEMBL11312023

Cc1ccccc1-c1ccc(N2CCCCC2)c(C(=O)NCCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.48
▸ SMYD2 Q9NRG4 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MCHR1 Q99705 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ AGTR1 P30556 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PPARG P37231 1/20 0.41

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
SCHEMBL11200220 0.84 POLB (0.54) POLBTSHRHSD17B10ALDH1A1GAA
SCHEMBL11178712 0.84 POLB (0.55) POLBTSHRHSD17B10ALDH1A1GAA
SCHEMBL11302230 0.83 MCHR1 (0.60) POLBMCHR1
SCHEMBL11198118 0.82 POLB (0.54) POLBTSHRHSD17B10ALDH1A1GAA
SCHEMBL11165965 0.82 MCHR1 (0.55) POLBTSHRHSD17B10MCHR1
SCHEMBL10356773 0.82 MCHR1 (0.55) POLBTSHRHSD17B10MCHR1
SCHEMBL11165531 0.82 MCHR1 (0.55) POLBTSHRHSD17B10MCHR1
SCHEMBL11441498 0.81 MCHR1 (0.56) POLBGAAMCHR1SMN1; SMN2
SCHEMBL11194691 0.80 POLB (0.52) POLBTSHRHSD17B10ALDH1A1GAA
SCHEMBL11442018 0.79 ALDH1A1 (0.55) POLBTSHRHSD17B10ALDH1A1GAA

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-0056144-A1 Carboxylic acid derivatives, their preparation and use as pharmaceuticals Dr. Karl Thomae GmbH (DE) 1982-07-21 — — EP disclosed
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