SCHEMBL17931990

SCHEMBL17931990

c1ccc2c(c1)ccc1c3cc(-c4c5ccccc5c(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)ccc3oc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 10/20 0.38
CYP1B1 Q16678 10/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
MAPT P10636 4/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 9/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
PRKDC P78527 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
PDE5A O76074 1/20 0.36
TP53 P04637 1/20 0.36
ABCB1 P08183 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL19081710 0.96 CYP1A1 (0.36) CYP1A1CYP1B1ALDH1A1HPGDMAPT
SCHEMBL23427978 0.96 CYP1A1 (0.37) CYP1A1CYP1B1ALDH1A1HPGDMAPT
SCHEMBL19081711 0.95 CYP1A1 (0.35) CYP1A1CYP1B1ALDH1A1HPGDMAPT
SCHEMBL16067771 0.95 CYP1A1 (0.38) CYP1A1CYP1B1ALDH1A1HPGDMAPT
SCHEMBL23427390 0.93 CYP1A1 (0.39) CYP1A1CYP1B1ALDH1A1HPGDMAPT
SCHEMBL23428393 0.93 CYP1A1 (0.39) CYP1A1CYP1B1ALDH1A1HPGDMAPT
SCHEMBL17932005 0.93 CYP1A1 (0.40) CYP1A1CYP1B1ALDH1A1HPGDMAPT
SCHEMBL17944150 0.90 ALOX5 (0.35) CYP1A1CYP1B1ALDH1A1HPGDMAPT
SCHEMBL24342049 0.88 ALDH1A1 (0.35) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL19109917 0.88 MAPT (0.35) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed