SCHEMBL31746979

SCHEMBL31746979

CCCCCc1ccc(-c2ccccc2CC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.50
HSD11B1 P28845 3/20 0.50
PPARA Q07869 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RARA P10276 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49
EP300 Q09472 1/20 0.48
KAT5 Q92993 1/20 0.48
KAT8 Q9H7Z6 1/20 0.48
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46

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
SCHEMBL9759625 0.85 ALDH1A1 (0.62) RARBPPARAALDH1A1MEN1KMT2A
SCHEMBL29434743 0.84 THRA (0.49) RARBHSD11B1PPARAALDH1A1MEN1
SCHEMBL29939361 0.84 HSD11B1 (0.63) RARBHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL10477138 0.83 MAOB (0.50) RARBHSD11B1PPARAALDH1A1MEN1
SCHEMBL9484846 0.82 PTGER1 (0.62) RARBPPARAALDH1A1MEN1KMT2A
SCHEMBL5599432 0.82 HSD11B1 (0.61) RARBHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL35867 0.82 HSD11B1 (0.61) RARBHSD11B1ALDH1A1MEN1KMT2A
SCHEMBL10477129 0.82 KDM4E (0.50) HSD11B1PPARAALDH1A1MEN1KMT2A
SCHEMBL9593191 0.82 HSD11B1 (0.49) RARBHSD11B1PPARAALDH1A1MEN1
SCHEMBL28829436 0.81 HSD11B1 (0.56) RARBHSD11B1ALDH1A1HSD17B10TSHR

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-3730590-B1 LIQUID CRYSTAL MEDIA WITH HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2025-12-24 EP disclosed