SCHEMBL31638726

SCHEMBL31638726

COc1ccc(C(F)F)c(C2=CCC(CO)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
SLC6A4 P31645 1/20 0.37
MAPT P10636 1/20 0.34
CYP26A1 O43174 1/20 0.33
NQO2 P16083 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
IDH2 P48735 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP19A1 P11511 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KLK7 P49862 1/20 0.31
TPH1 P17752 1/20 0.31
EED O75530 1/20 0.31
MPO P05164 1/20 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
SCHEMBL20103296 0.84 ESR2 (0.46) ESR2SLC6A4MAPTCYP26A1MTNR1B
SCHEMBL20103431 0.81 ESR2 (0.46) ESR2SLC6A4MAPTCYP26A1TDP1
SCHEMBL31638693 0.81 ESR2 (0.43) ESR2SLC6A4MAPTCYP26A1NQO2
SCHEMBL31638831 0.79 ESR2 (0.43) ESR2SLC6A4MAPTCYP26A1
SCHEMBL31638769 0.78 ALDH1A1 (0.42) MAPTTDP1MEN1KMT2AKDM4E
SCHEMBL31638894 0.71 FFAR1 (0.41) ESR2MAPTNQO2MTNR1AMTNR1B
SCHEMBL12738759 0.69 ESR2 (0.39) ESR2SLC6A4CYP26A1CYP19A1MEN1
SCHEMBL18180513 0.68 ESR2 (0.45) ESR2
SCHEMBL20103308 0.68 CCNT1 (0.42) ESR2
SCHEMBL20103422 0.67 SLC6A4 (0.44) SLC6A4MTNR1BIDH2

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
WO-2025136929-A1 GPR40 AGONISTS KALLYOPE, INC. (US) 2025-06-26 WO disclosed