SCHEMBL29529441

SCHEMBL29529441

COc1occ2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.41
NQO1 P15559 1/20 0.39
POLB P06746 1/20 0.38
CA4 P22748 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
CYP2A6 P11509 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
ADORA2A P29274 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL6001561 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTPOLBCYP1A2
SCHEMBL6013736 0.75 HSD17B10 (0.33) ALDH1A1KDM4EPOLBCA4CYP1A2
SCHEMBL10372643 0.74 CYP2A6 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL547450 0.74 PTPN1 (0.39) ALDH1A1SMN1; SMN2MAPTPOLBRAB9A
SCHEMBL10373029 0.74 CYP2A6 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL10944396 0.71 HSD17B10 (0.37) ALDH1A1KDM4ESMN1; SMN2MAPK1RAB9A
SCHEMBL10374747 0.71 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL1097671 0.70 CYP2A6 (0.42) ALDH1A1KDM4ESMN1; SMN2MAPK1RAB9A
SCHEMBL2090282 0.69 MAPT (0.33) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL6593125 0.67 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD

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-111303424-B Transparent high polymer material composition and application thereof 江阴骏驰新材料科技有限公司 2022-10-21 CN claimed
CN-111303424-B Transparent high polymer material composition and application thereof 江阴骏驰新材料科技有限公司 2022-10-21 CN disclosed
CN-114225869-A Production device of transparent polyimide slurry 深圳市华科创智技术有限公司 2022-03-25 CN disclosed