SCHEMBL30464014

SCHEMBL30464014

CC(=O)O[C@H](C)CCC=C(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.55
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
GALR3 O60755 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1301667 1.00 ALOX15 (0.55) ALOX15TSHRALDH1A1CHRM2CHRM4
SCHEMBL12215438 0.89 ALOX15 (0.53) ALOX15ALDH1A1MAPT
SCHEMBL14826010 0.89 ALOX15 (0.53) ALOX15ALDH1A1MAPT
SCHEMBL14815406 0.89 ALOX15 (0.53) ALOX15ALDH1A1MAPT
SCHEMBL1171362 0.89 ALOX15 (0.53) ALOX15ALDH1A1MAPT
SCHEMBL1302069 0.89 ALOX15 (0.53) ALOX15ALDH1A1MAPT
SCHEMBL12215439 0.89 ALOX15 (0.53) ALOX15ALDH1A1MAPT
SCHEMBL1171361 0.89 ALOX15 (0.53) ALOX15ALDH1A1MAPT
SCHEMBL18076324 0.89 ALOX15 (0.53) ALOX15ALDH1A1MAPT
SCHEMBL1617388 0.85 ALOX15 (0.57) ALOX15TSHRALDH1A1CHRM2CHRM4

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
CN-116514892-A Steroid compound, preparation method and application thereof 珂阑(上海)医药科技有限公司 2023-08-01 CN disclosed