SCHEMBL28352153

SCHEMBL28352153

CC(C)=CC=C/C(C)=C/C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
ALOX15 P16050 3/20 0.52
RECQL P46063 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 1/20 0.52
RXRA P19793 8/20 0.49
RARA P10276 5/20 0.49
RARB P10826 5/20 0.49
RARG P13631 5/20 0.49
RXRB P28702 3/20 0.49
RXRG P48443 3/20 0.49
PTGS1 P23219 4/20 0.45
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RORC P51449 2/20 0.43
CYP3A4 P08684 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
MAPK1 P28482 2/20 0.43
HTR2B P41595 2/20 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
SCHEMBL10952287 1.00 ALDH1A1 (0.52) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL10952289 1.00 ALDH1A1 (0.52) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL2579268 0.96 ALDH1A1 (0.59) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL11858480 0.83 ALDH1A1 (0.43) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL11858484 0.83 ALDH1A1 (0.43) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL9665397 0.82 ALDH1A1 (0.54) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL9665389 0.82 ALDH1A1 (0.54) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL11046739 0.82 ALDH1A1 (0.54) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL12494392 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL15609254 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15RECQLHSD17B10TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110621654-B TRPV1 modulator compounds 安塔尔遗传学公司 2022-11-01 CN disclosed
CN-110621654-A TRPV1 modulator compounds 安塔尔遗传学公司 2019-12-27 CN disclosed