SCHEMBL8765040

SCHEMBL8765040

CC(C)C1=Cc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2OC12C=Cc1ccccc1O2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HIF1A Q16665 4/20 0.33
EPAS1 Q99814 4/20 0.33
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
QPCT Q16769 1/20 0.30
CNR2 P34972 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
NR3C1 P04150 1/20 0.30

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
SCHEMBL6262175 1.00 CYP2C19 (0.36) CYP2C19CRHBPCRHR2HIF1AEPAS1
SCHEMBL10849196 0.89 CA12 (0.33)
SCHEMBL6701609 0.83 CYP2C19 (0.35) CYP2C19CRHBPCRHR2HIF1AEPAS1
SCHEMBL11538450 0.80 CYP2C19 (0.34) CYP2C19CRHBPCRHR2HIF1AEPAS1
SCHEMBL11268720 0.79 CYP2C19 (0.34) CYP2C19CRHBPCRHR2HIF1AEPAS1
SCHEMBL11586208 0.74 CA12 (0.35) HIF1AEPAS1HTT
SCHEMBL3877465 0.74 CA12 (0.33) HIF1AEPAS1HTTCNR2
SCHEMBL10618065 0.74 CA12 (0.33) HIF1AEPAS1HTTCNR2
SCHEMBL9333313 0.71 HTR2C (0.32)
SCHEMBL11280803 0.70 CA12 (0.35) HIF1AEPAS1HTTCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633144-B1 Pressure-sensitive copying material WIGGINS TEAPE GROUP LTD (GB) 1997-08-13 EP disclosed
US-5476829-A Blend of rapid and slow developing chromogen material in vegetable oil and an acid clay THE WIGGINS TEAPE GROUP LIMITED (GB) 1995-12-19 US disclosed
EP-0633144-A1 Pressure-sensitive copying material The Wiggins Teape Group Limited (GB) 1995-01-11 EP disclosed
US-4611070-A DYE-FORMING COMPONENTS FOR PRESSURE-SENSITIVE RECORDING OR COPYING BASF AKTIENGESELLSCHAFT (DE) 1986-09-09 US disclosed
EP-0010740-B1 SPIRODIPYRANES AND THEIR USE AS COLOUR FORMERS IN COPYING PROCESSES BASF Aktiengesellschaft (DE) 1982-04-21 EP disclosed
EP-0010740-A1 Spirodipyranes and their use as colour formers in copying processes BASF Aktiengesellschaft (DE) 1980-05-14 EP disclosed