SCHEMBL4754947

SCHEMBL4754947

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCC)cc3)c3nsnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ RARB P10826 3/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ PTPN11 Q06124 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LTA4H P09960 1/20 0.42

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
SCHEMBL22454346 0.96 NR5A1 (0.50) NR5A1HTR2AHTR2CHTR1BHTR2B
SCHEMBL2676039 0.96 NR5A1 (0.50) NR5A1HTR2AHTR2CHTR1BHTR2B
SCHEMBL17186624 0.88 HTR2A (0.44) NR5A1HTR2AHTR2CHTR1BHTR2B
SCHEMBL17694325 0.84 PTPN11 (0.45) NR5A1RARBCYP3A4CYP2D6PTPN11
SCHEMBL24270372 0.81 CYP19A1 (0.50) NR5A1HTR2AHTR2CHTR1BHTR2B
SCHEMBL21537508 0.80 CYP11B1 (0.43) CYP3A4CYP2D6PTPN11CYP1A2CYP2C9
SCHEMBL22454339 0.80 ITGB3 (0.40) CYP3A4CYP2D6KDM4EMAPTRAB9A
SCHEMBL9493464 0.80 NR5A1 (0.51) NR5A1RARBCYP3A4CYP2D6PTPN11
SCHEMBL9493399 0.80 NR5A1 (0.51) NR5A1RARBCYP3A4CYP2D6PTPN11
SCHEMBL9493279 0.80 NR5A1 (0.51) NR5A1RARBCYP3A4CYP2D6PTPN11

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-8866997-B2 Patterned electronic and polarization optical devices ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2014-10-21 — — US disclosed
US-20120105783-A1 PATTERNED ELECTRONIC AND POLARIZATION OPTICAL DEVICES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2012-05-03 — — US disclosed
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