SCHEMBL23965442

SCHEMBL23965442

Oc1ccc2cc(C#Cc3ccccc3)ccc2c1-c1c(O)ccc2cc(C#Cc3ccccc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.51
GRM5 P41594 2/20 0.50
ASIC3 Q9UHC3 4/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
HSD17B1 P14061 2/20 0.46
CYP2B6 P20813 2/20 0.46
CYP2C19 P33261 2/20 0.46
HSD17B2 P37059 2/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
APP P05067 1/20 0.41
ALOX5 P09917 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL23965441 0.83 IDO1 (0.45) HNF4AGRM5ASIC3ESR1ESR2
SCHEMBL15957851 0.81 CYP1A2 (0.59) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL19712929 0.77 CA1 (0.54) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL6129311 0.77 CYP1A2 (0.39) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL6129315 0.77 HSD17B1 (0.41) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL5349608 0.77 CA2 (0.44) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL23986574 0.75 IDO1 (0.49) ESR1ESR2CYP1A2CYP3A4CYP2D6
SCHEMBL4267311 0.75 HNF4A (0.63) HNF4AGRM5ASIC3APPALOX5
SCHEMBL29640427 0.75 HNF4A (0.63) HNF4AGRM5ASIC3APPALOX5
SCHEMBL4436991 0.74 ASIC3 (0.41) HNF4AGRM5ASIC3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3904442-A1 RESIN COMPOSITION, MOLDED BODY, OPTICAL LENS, AND OPTICAL LENS UNIT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-11-03 EP disclosed