SCHEMBL9352187

SCHEMBL9352187

CN(C)c1ccc2c(c1)[nH]c(=O)c1cc(C(=O)O)c(=O)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.51
GPR35 Q9HC97 8/20 0.45
LRP6 O75581 2/20 0.43
HSD17B10 Q99714 2/20 0.43
DKK1 O94907 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SLC16A1 P53985 2/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.37

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
SCHEMBL9352827 0.81 AR (0.36) SLC16A3LRP6HSD17B10DKK1CYP1A2
SCHEMBL9356005 0.80 CYP1A1 (0.41) CYP1A2ARALDH1A1HPGDKDM4E
SCHEMBL9356171 0.79 SLC16A3 (0.65) SLC16A3GPR35LRP6HSD17B10DKK1
SCHEMBL9352045 0.76 ELANE (0.39) HSD17B10ARALDH1A1HPGDLMNA
SCHEMBL31273615 0.71 SLC16A3 (0.54) SLC16A3LRP6HSD17B10DKK1CYP1A2
SCHEMBL7988442 0.68 KDM4E (0.51) HSD17B10ARALDH1A1HPGDKDM4E
SCHEMBL839032 0.68 SLC16A3 (1.00) SLC16A3GPR35HSD17B10CYP1A2CYP2C19
SCHEMBL3640753 0.66 KDM4E (0.51) HSD17B10ARALDH1A1HPGDKDM4E
SCHEMBL2979085 0.64 KDM4E (0.62) LRP6HSD17B10DKK1CYP1A2CYP2D6
SCHEMBL3251484 0.64 HSD17B10 (0.42) SLC16A3LRP6HSD17B10DKK1CYP1A2

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-0431452-B1 Method for the optical distinction of dental materials and material used in this method IVOCLAR AG (LI) 1994-10-05 EP claimed