SCHEMBL10698538

SCHEMBL10698538

Cc1ccc(OC(C)OOc2ccccc2C(=O)O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40
GGT1 P19440 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
BLM P54132 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCB1 P08183 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL10599630 0.83 KDM4E (0.44) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL10698533 0.81 ALDH1A1 (0.46) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL9551796 0.79 KDM4E (0.49) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL10697509 0.79 HTT (0.47) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL9395760 0.75 HPGD (0.48) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL10698544 0.74 ALDH1A1 (0.51) KDM4EHPGDALDH1A1TSHRL3MBTL1
SCHEMBL17010754 0.74 KDM4E (0.56) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL10619157 0.74 KDM4E (0.59) HSD17B10KDM4EHPGDALDH1A1TSHR
SCHEMBL8064832 0.73 ALDH1A1 (0.43) ALDH1A1TSHRIDO1TDO2L3MBTL1
SCHEMBL9129863 0.73 KDM4E (0.54) HSD17B10KDM4EHPGDALDH1A1TSHR

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