SCHEMBL17899358

SCHEMBL17899358

Bc1ccc2cc(-c3cc4ccccc4c4ccccc34)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.45
GSTP1 P09211 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HIF1A Q16665 2/20 0.42
CYP1B1 Q16678 1/20 0.42
HPRT1 P00492 3/20 0.40
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPM4 Q8TD43 1/20 0.38
CYP2A6 P11509 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL28270535 0.87 GSTP1 (0.57) CYP11B1GSTP1GPR84ALDH1A1HSD17B10
SCHEMBL10124865 0.85 CYP11B1 (0.50) CYP11B1GPR84ALDH1A1HSD17B10HIF1A
SCHEMBL14304432 0.82 MCL1 (0.46) CYP11B1GSTP1ALDH1A1CYP1A2CYP3A4
SCHEMBL10332129 0.81 CYP11B1 (0.51) CYP11B1GPR84ALDH1A1HSD17B10HIF1A
SCHEMBL13446165 0.81 GSTP1 (0.47) CYP11B1GSTP1GPR84CYP1A2CYP3A4
SCHEMBL25812022 0.81 HPRT1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL5245826 0.81 GSTP1 (0.59) CYP11B1GSTP1GPR84ALDH1A1HSD17B10
SCHEMBL19520094 0.80 HSD17B1 (0.52) CYP11B1GSTP1GPR84ALDH1A1HSD17B10
SCHEMBL23078456 0.79 ESR1 (0.39) CYP11B1GSTP1GPR84ALDH1A1HSD17B10
SCHEMBL26021824 0.79 CYP2A6 (0.55) CYP11B1GSTP1GPR84ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed