SCHEMBL30657223

SCHEMBL30657223

Cc1cc(-c2cccc3cc4ccccc4cc23)c2cc3ccccc3cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.48
CYP2A6 P11509 5/20 0.48
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
HIF1A Q16665 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
CASP1 P29466 2/20 0.38
TP53 P04637 1/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CES1 P23141 1/20 0.36
CYP1B1 Q16678 1/20 0.35
NQO1 P15559 1/20 0.35

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
SCHEMBL7951078 0.84 CYP1A2 (0.57) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL30001147 0.84 CYP1A2 (0.40) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL28596459 0.84 CYP1A2 (0.40) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL29354014 0.83 ALDH1A1 (0.50) CYP1A2TDP1ALDH1A1HSD17B10HPGD
SCHEMBL2871930 0.83 ALDH1A1 (0.50) CYP1A2TDP1ALDH1A1HSD17B10HPGD
SCHEMBL537002 0.81 ALDH1A1 (0.52) CYP1A2TDP1ALDH1A1HSD17B10HPGD
SCHEMBL29538643 0.81 ALDH1A1 (0.48) CYP1A2TDP1ALDH1A1HSD17B10HPGD
SCHEMBL27506937 0.81 ALDH1A1 (0.48) CYP1A2TDP1ALDH1A1HSD17B10HPGD
SCHEMBL27558874 0.81 CYP1A2 (0.44) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL14322661 0.80 ALDH1A1 (0.48) CYP1A2ALDH1A1HSD17B10HPGDMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114982711-B Spontaneous tumor forming model of mouse gastric stromal tumor, construction method and application thereof 广东省人民医院 2023-11-10 CN claimed
CN-114982711-B Spontaneous tumor forming model of mouse gastric stromal tumor, construction method and application thereof 广东省人民医院 2023-11-10 CN disclosed
CN-114982711-B Spontaneous tumor forming model of mouse gastric stromal tumor, construction method and application thereof 广东省人民医院 2023-11-10 CN disclosed