SCHEMBL10698533

SCHEMBL10698533

Cc1ccc(OC(C)Oc2cccc(C(=O)O)c2O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
CSNK2A1 P68400 1/20 0.40
DHODH Q02127 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TRPM4 Q8TD43 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
AKR1C2 P52895 1/20 0.36

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
SCHEMBL10599621 0.84 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10KDM4EIDO1
SCHEMBL10698538 0.81 HSD17B10 (0.41) ALDH1A1HPGDHSD17B10KDM4EMRGPRX4
SCHEMBL9551794 0.79 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL8064832 0.79 ALDH1A1 (0.43) ALDH1A1MRGPRX4IDO1TDO2CSNK2A1
SCHEMBL10697508 0.77 HTT (0.47) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL30625923 0.77 IRAK4 (0.54) ALDH1A1HPGDHSD17B10KDM4EIDO1
SCHEMBL3466564 0.76 ACHE (0.43) ALDH1A1HPGDKDM4ETSHRHTR2A
SCHEMBL9395756 0.76 KDM4E (0.43) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL9129853 0.75 KDM4E (0.50) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL5283288 0.74 ACHE (0.44) ALDH1A1MRGPRX4TSHRHTR2AHTR2C

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-0275203-A2 Heat-sensitive recording material containing color forming components FUJI PHOTO FILM CO., LTD. (JP) 1988-07-20 EP disclosed