SCHEMBL9505799

SCHEMBL9505799

C=Cc1ccc(COP(=O)(O)CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TSHR P16473 1/20 0.41
AKR1C3 P42330 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FOLH1 Q04609 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL3268596 0.84 TSHR (0.51) CETPTAS1R3TAS1R1TSHRALDH1A1
SCHEMBL3266718 0.84 TSHR (0.44) CETPTAS1R3TAS1R1TSHRAKR1C3
SCHEMBL29178608 0.81 TSHR (0.47) TAS1R3TAS1R1TSHRALDH1A1MEN1
SCHEMBL7631135 0.80 ALDH1A1 (0.44) TAS1R3TAS1R1TSHRAKR1C3ALDH1A1
SCHEMBL26692940 0.80 TSHR (0.43) CETPTAS1R3TAS1R1TSHRALDH1A1
SCHEMBL10685051 0.80 PPARD (0.39) TAS1R3TAS1R1ALDH1A1KMT2ATDP1
SCHEMBL11409691 0.79 PPARD (0.38) TAS1R3TAS1R1ALDH1A1KMT2ATDP1
SCHEMBL6135587 0.77 TSHR (0.68) CETPTSHRALDH1A1FOLH1SRC
SCHEMBL9067576 0.75 ALDH1A1 (0.38) TAS1R3TAS1R1TSHRAKR1C3ALDH1A1
SCHEMBL25764731 0.73 THRB (0.43) CETPMEN1KMT2ATHRB

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
EP-0290936-B1 LIQUID ELECTROSTATIC DEVELOPERS COMPOSED OF BLENDED RESINS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-11 EP disclosed
EP-0290936-A1 Liquid electrostatic developers composed of blended resins E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-17 EP disclosed
US-4772528-A NEGATIVELY CHARGED RESIN PARTICLES, IMAGING, RESOLUTION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-09-20 US disclosed