SCHEMBL29434705

SCHEMBL29434705

OCCc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2A6 P11509 1/20 0.56
SIGMAR1 Q99720 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
PKM P14618 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX5 P09917 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
BACE1 P56817 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
SLC13A5 Q86YT5 1/20 0.47
PDPK1 O15530 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL79723 1.00 CYP1A2 (0.56) CYP1A2CYP2A6SIGMAR1TDP1HRH3
SCHEMBL28791358 0.96 CYP1A2 (0.53) CYP1A2CYP2A6SIGMAR1TDP1HRH3
Alcohol SCHEMBL5325226 0.94 CYP1A2 (0.61) CYP1A2CYP2A6SIGMAR1TDP1HRH3
SCHEMBL29719576 0.93 CYP1A2 (0.50) CYP1A2CYP2A6SIGMAR1TDP1HRH3
SCHEMBL2309840 0.93 CYP1A2 (0.50) CYP1A2CYP2A6SIGMAR1TDP1HRH3
SCHEMBL2312468 0.93 CYP1A2 (0.50) CYP1A2CYP2A6SIGMAR1TDP1HRH3
SCHEMBL5610449 0.91 KDM4E (0.58) CYP1A2CYP2A6SIGMAR1TDP1PKM
SCHEMBL27621616 0.87 CYP1A2 (0.50) CYP1A2CYP2A6SIGMAR1HDAC1HDAC8
SCHEMBL31265269 0.87 CYP1A2 (0.62) CYP1A2CYP2A6SIGMAR1HRH3PKM
SCHEMBL81147 0.87 CYP1A2 (0.62) CYP1A2CYP2A6SIGMAR1HRH3PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775194-A Two-dimensional electrocatalytic hydrogen evolution material constructed based on cation-pi action, preparation method and application 西北工业大学 2025-04-08 CN claimed
CN-117230123-A Method for biosynthesis of 2- (naphthalene-2-yl) ethanol by using saccharomyces cerevisiae 江南大学 2023-12-15 CN claimed
CN-119775194-A Two-dimensional electrocatalytic hydrogen evolution material constructed based on cation-pi action, preparation method and application 西北工业大学 2025-04-08 CN disclosed
CN-117230123-A Method for biosynthesis of 2- (naphthalene-2-yl) ethanol by using saccharomyces cerevisiae 江南大学 2023-12-15 CN disclosed
CN-117230123-A Method for biosynthesis of 2- (naphthalene-2-yl) ethanol by using saccharomyces cerevisiae 江南大学 2023-12-15 CN disclosed
CN-117230123-A Method for biosynthesis of 2- (naphthalene-2-yl) ethanol by using saccharomyces cerevisiae 江南大学 2023-12-15 CN disclosed
CN-110225911-B Oxadiazolone transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-04-05 CN disclosed