SCHEMBL31229554

SCHEMBL31229554

Clc1cc2cc(-c3ccc4ccccc4c3)ccc2c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
CYP2A6 P11509 2/20 0.42
GSTP1 P09211 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL31367270 0.89 ESR1 (0.46) ESR1ESR2ALOX5ALDH1A1HSD17B1
SCHEMBL31229503 0.83 PTGES (0.46) HPRT1ESR1ESR2ALOX5HSD17B1
SCHEMBL31229655 0.81 CYP2A6 (0.47) HPRT1ESR1ESR2ALOX5HSD17B1
SCHEMBL31229409 0.81 ALDH1A1 (0.44) HPRT1ALDH1A1HSD17B1HSD17B2CYP2A6
SCHEMBL31398633 0.80 CYP2A6 (0.46) HPRT1ESR1ESR2ALOX5HSD17B1
SCHEMBL1922076 0.80 ALDH1A1 (0.55) HPRT1ALDH1A1CYP2A6MAPTL3MBTL1
SCHEMBL30494614 0.80 ALDH1A1 (0.55) HPRT1ALDH1A1CYP2A6MAPTL3MBTL1
SCHEMBL10484239 0.78 HPRT1 (0.64) HPRT1ALDH1A1CYP2A6MAPTL3MBTL1
SCHEMBL19336404 0.78 HPRT1 (0.64) HPRT1ESR1ESR2ALOX5ALDH1A1
SCHEMBL19336426 0.78 HPRT1 (0.64) HPRT1ESR1ESR2ALOX5ALDH1A1

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-119161258-A Compound and organic light emitting device comprising the same 株式会社LG化学 2024-12-20 CN disclosed