SCHEMBL7071489

SCHEMBL7071489

CCC(c1ccccc1)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
DRD3 P35462 1/20 0.50
GRM4 Q14833 1/20 0.50
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 4/20 0.41

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
SCHEMBL28720485 0.93 HSD17B10 (0.50) HSD17B10MEN1KMT2ACYP2D6CYP2C9
SCHEMBL31473042 0.93 HSD17B10 (0.56) HSD17B10MEN1KMT2ACYP2D6CYP2C9
SCHEMBL254345 0.93 HSD17B10 (0.56) HSD17B10MEN1KMT2ACYP2D6CYP2C9
Methane SCHEMBL9652566 0.85 KDM4E (0.51) HSD17B10MEN1KMT2ACYP2C9CYP2C19
SCHEMBL28401167 0.83 CYP17A1 (0.47) HSD17B10MEN1KMT2ACYP2D6CYP2C9
SCHEMBL4626521 0.80 HSD17B10 (0.55) HSD17B10MEN1KMT2ACYP2D6CYP2C9
SCHEMBL2114613 0.80 KLKB1 (0.50) HSD17B10MEN1KMT2ACYP2D6CYP2C9
Bicarbonate SCHEMBL7184926 0.79 LMNA (0.56) HSD17B10MEN1KMT2ACYP2D6CYP2C9
Bicarbonate SCHEMBL11212986 0.79 LMNA (0.56) HSD17B10MEN1KMT2ACYP2D6CYP2C9
SCHEMBL351082 0.79 POLB (0.55) HSD17B10MEN1KMT2ACYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738745-B1 Polyimide precursor, polyimide and their use HITACHI CHEMICAL CO LTD (JP) 2003-06-18 EP disclosed
EP-0738745-A1 Polyimide precursor, polyimide and their use HITACHI CHEMICAL COMPANY, LTD. (JP) 1996-10-23 EP disclosed