SCHEMBL29924271

SCHEMBL29924271

CCCc1cc2ccc1o2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.38
ESR1 P03372 5/20 0.35
ESR2 Q92731 5/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH1B1 P30837 1/20 0.33
ALDH1A3 P47895 1/20 0.33
POLB P06746 1/20 0.32
TLR8 Q9NR97 1/20 0.32
ALOX5 P09917 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
SCHEMBL8470589 1.00 HSD17B3 (0.38) HSD17B3ESR1ESR2MEN1KMT2A
SCHEMBL7177601 0.84 TYR (0.43) ESR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL4193390 0.82
SCHEMBL29557236 0.78 HTR2C (0.31) ALDH1A1KDM4EMAPTGAAALOX5
SCHEMBL6276074 0.74 HMGCR (0.40) HSD17B3ESR1ESR2ALDH1A1KDM4E
SCHEMBL22458615 0.72 GABRA1 (0.38) ALDH1A1
SCHEMBL21705667 0.72 HSD17B3 (0.40) HSD17B3MEN1KMT2AALDH1A1KDM4E
SCHEMBL29923984 0.72 HCAR2 (0.37)
SCHEMBL18758107 0.70 ACHE (0.32) ALDH1A1MAPTPOLB
SCHEMBL157308 0.70 ESR1 (0.37) HSD17B3ESR1ESR2ALDH1A1KDM4E

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-4048734-A1 POLYAMIDE COMPOSITION BASF SE (DE) 2022-08-31 EP disclosed