SCHEMBL28295910

SCHEMBL28295910

COCCOC(=O)c1cccc2sc3ccccc3c(=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
MAPT P10636 5/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL27487006 0.96 TSHR (0.52) TSHRMAPTHPGDNPC1RAB9A
SCHEMBL10844883 0.87 MAOB (0.45) TSHRMAPTHPGDNPC1RAB9A
SCHEMBL6245881 0.86 TSHR (0.57) TSHRMAPTHPGDNPC1RAB9A
SCHEMBL10843627 0.86 MAOB (0.44) TSHRMAPTHPGDNPC1RAB9A
SCHEMBL10843289 0.86 MAPT (0.40) TSHRMAPTHPGDNPC1RAB9A
SCHEMBL9456116 0.86 TSHR (0.53) TSHRMAPTHPGDNPC1RAB9A
SCHEMBL30254707 0.86 TSHR (0.53) TSHRMAPTHPGDNPC1RAB9A
SCHEMBL9682562 0.85 CYP1A2 (0.42) TSHRMAPTHPGDNPC1RAB9A
SCHEMBL12455579 0.85 MAPT (0.39) TSHRMAPTHPGDNPC1RAB9A
SCHEMBL10994411 0.84 ALDH1A1 (0.59) TSHRMAPTCYP3A4ALDH1A1KDM4E

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-105531260-B Oxime ester photoinitiator 巴斯夫欧洲公司 2019-05-31 CN disclosed