SCHEMBL23891741

SCHEMBL23891741

C=C(C)c1ccc(CCCCC)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.54
RARA P10276 1/20 0.54
RARG P13631 1/20 0.54
PPARA Q07869 2/20 0.48
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
PPARG P37231 1/20 0.44
KAT8 Q9H7Z6 2/20 0.44
ESR1 P03372 2/20 0.43
ADRA2A P08913 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
TACR2 P21452 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP3A4 P08684 2/20 0.43
PTGS2 P35354 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL24358443 0.88 CNR1 (0.43) RARBRARARARGPPARATHRB
SCHEMBL8992308 0.83 RARB (0.63) RARBRARARARGPPARATHRA
SCHEMBL19415783 0.82 RARB (0.51) RARBPPARATHRATHRBPPARG
SCHEMBL9238571 0.82 RARB (0.76) RARBRARARARGPPARAPPARG
SCHEMBL21971017 0.81 TRPA1 (0.41) RARBRARARARGLMNALPL
SCHEMBL3281551 0.81 RARB (0.78) RARBRARARARGPPARAPPARG
SCHEMBL3281472 0.81 RARB (0.78) RARBRARARARGPPARAPPARG
SCHEMBL28260247 0.81 RARB (0.78) RARBRARARARGPPARAPPARG
SCHEMBL9326706 0.79 THRB (0.60) RARBRARARARGPPARATHRA
SCHEMBL10460146 0.78 RARB (0.62) RARBRARARARGPPARATHRA

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-3889138-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2021-10-06 EP disclosed