SCHEMBL11249686

SCHEMBL11249686

CCCCCCCCc1ccc(N(c2ccc(CCCCCCCC)cc2)C2(c3ccc(N(C)C)cc3)OC(=O)c3nccnc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 1/20 0.32
THRA P10827 3/20 0.32
THRB P10828 3/20 0.32
SPHK1 Q9NYA1 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
DUSP3 P51452 1/20 0.32
HDAC11 Q96DB2 1/20 0.31
LPL P06858 3/20 0.31
LIPG Q9Y5X9 3/20 0.31

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
SCHEMBL11239963 0.91 CNR2 (0.36) TRPV1ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL11237226 0.87 TRPV1 (0.36) TRPV1ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL11244452 0.87 TRPV1 (0.36) TRPV1ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL11241310 0.81 CNR2 (0.32) TRPV1ALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL1882657 0.78 KMT2A (0.42) ALDH1A1CYP1A2CYP3A4HPGDCYP2C19
SCHEMBL11373082 0.78 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4HPGDCYP2C19
SCHEMBL11250433 0.77 RORA (0.36) ALDH1A1HPGDKMT2ACNR2
SCHEMBL11237151 0.72 LMNA (0.32) TRPV1CYP2C19CNR2FAAH
SCHEMBL10715437 0.70 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4HPGDCYP2C19
SCHEMBL11243411 0.70 TRPV1 (0.37) TRPV1ALDH1A1CYP1A2CYP3A4HPGD

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-4337340-A FROM DIPHENYLAMINES AND BENZOYL OR 3-INDOLYLCARBONYL PYRIDINE- OR PYRAZINECARBOXYLIC ACIDS STERLING DRUG INC. (US) 1982-06-29 US disclosed
US-4243250-A FUROPYRIDINONES OR FUROPYRAZINONES AS COLOR FORMERS STERLING DRUG INC. (US) 1981-01-06 US disclosed
US-4211872-A COLOR FORMERS FREEDOM CHEMICAL COMPANY 1980-07-08 US disclosed