SCHEMBL16133261

SCHEMBL16133261

c1ccc2c(c1)ccc1c3cc(-c4cc5c6ccccc6c6cccc7c8ccccc8c(c4)c5c67)ccc3oc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 13/20 0.42
CYP1B1 Q16678 13/20 0.42
CYP1A2 P05177 12/20 0.40
PRKDC P78527 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PDE5A O76074 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
ABCB1 P08183 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
TACR2 P21452 1/20 0.40
TBXAS1 P24557 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
SCHEMBL16133262 0.97 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2PRKDCKDM4E
SCHEMBL20996055 0.97 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2PRKDCKDM4E
SCHEMBL16133277 0.96 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2PRKDCKDM4E
SCHEMBL21034898 0.94 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2PRKDCKDM4E
SCHEMBL16133264 0.93 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2PRKDCKDM4E
SCHEMBL21035492 0.93 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2PRKDCKDM4E
SCHEMBL21035489 0.90 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2PRKDCKDM4E
SCHEMBL21035488 0.90 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2PRKDCKDM4E
SCHEMBL21034888 0.89 ALOX5 (0.44) CYP1A1CYP1B1CYP1A2PRKDCKDM4E
SCHEMBL24362839 0.89 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2PRKDCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9997712-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-06-12 US disclosed
US-9997712-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-06-12 US disclosed
US-20140291638-A1 HOST MATERIALS FOR OLED APPLICATION UNIVERSAL DISPLAY CORPORATION (US) 2014-10-02 US disclosed