SCHEMBL28301019

SCHEMBL28301019

Cc1cccc(Oc2c3ccccc3cc3ccccc23)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 5/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NUDT1 P36639 1/20 0.44
CYP2A6 P11509 3/20 0.44
TSHR P16473 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DHFR P00374 1/20 0.40
KEAP1 Q14145 1/20 0.40
MAPT P10636 3/20 0.39
GPR84 Q9NQS5 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL9488030 0.77 KEAP1 (0.49) ALDH1A1CYP1A2NUDT1TSHRGAA
SCHEMBL8130984 0.76 DHFR (0.40) ALDH1A1CYP1A2HPGDNUDT1CYP2A6
SCHEMBL2357775 0.74 GPR84 (0.52) ALDH1A1CYP1A2HPGDHSD17B10CYP2A6
SCHEMBL29377898 0.74 MAPT (0.54) ALDH1A1CYP1A2NUDT1TSHRKDM4E
SCHEMBL1538371 0.74 MAPT (0.54) ALDH1A1CYP1A2NUDT1TSHRKDM4E
SCHEMBL9487054 0.74 KEAP1 (0.46) ALDH1A1CYP1A2NUDT1KDM4EGAA
SCHEMBL8486101 0.73 MEN1 (0.54) ALDH1A1CYP1A2HPGDNUDT1TSHR
SCHEMBL30463389 0.73 SMN1; SMN2 (0.54) ALDH1A1CYP1A2HPGDCYP2A6TSHR
SCHEMBL27664402 0.72 CYP1A2 (0.44) ALDH1A1CYP1A2HPGDHSD17B10CYP2A6
SCHEMBL28909697 0.72 SMN1; SMN2 (0.48) ALDH1A1CYP1A2HPGDCYP2A6TSHR

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-109799680-A Chemical amplification positive photosensitive resin composition and its application 奇美实业股份有限公司 2019-05-24 CN disclosed