SCHEMBL28979012

SCHEMBL28979012

CC(C)(CO)C(C)(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.38
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 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
SCHEMBL1617443 0.85 ALDH1A1 (0.52) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL6048465 0.82 CYP2C19 (0.42) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL11257016 0.78 TAAR1 (0.43) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL6492862 0.76 CYP2C19 (0.47) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL6472876 0.76 CYP2C19 (0.47) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL7192 0.76 CYP2C19 (0.47) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL3683859 0.75 ALDH1A1 (0.48) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL4082774 0.75 ALDH1A1 (0.48) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL14443430 0.75 ALDH1A1 (0.48) CYP2C19HIF1AALDH1A1TAAR1ALOX15
SCHEMBL416036 0.75 ALDH1A1 (0.48) CYP2C19HIF1AALDH1A1TAAR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710199-B Photooxidation reduction catalytic process 深圳湾实验室坪山生物医药研发转化中心 2024-06-28 CN disclosed
CN-115710199-A Photo-oxidation-reduction catalysis method 深圳湾实验室坪山生物医药研发转化中心 2023-02-24 CN disclosed
CN-113387837-B Photo-oxidation-reduction catalysis method 深圳湾实验室坪山生物医药研发转化中心 2023-02-21 CN disclosed
CN-113387837-A Photo-oxidation-reduction catalysis method 深圳湾实验室坪山生物医药研发转化中心 2021-09-14 CN disclosed