SCHEMBL9765836

SCHEMBL9765836

C[C](C)CC(C(C)=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
LMNA P02545 5/20 0.44
POLB P06746 2/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX1 P07099 1/20 0.44
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 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
SCHEMBL2915242 0.88 ALDH1A1 (0.46) HPGDLMNAPOLBCYP2C19EPHX1
SCHEMBL2915594 0.88 ALDH1A1 (0.46) HPGDLMNAPOLBCYP2C19EPHX1
SCHEMBL5918571 0.88 GABBR2 (0.50) LMNAPOLBCYP2C19EPHX1HSD17B10
SCHEMBL20342100 0.88 GABBR2 (0.50) LMNAPOLBCYP2C19EPHX1HSD17B10
SCHEMBL1977280 0.88 ALDH1A1 (0.46) HPGDLMNAPOLBCYP2C19EPHX1
SCHEMBL25575127 0.88 GABBR2 (0.50) LMNAPOLBCYP2C19EPHX1HSD17B10
SCHEMBL10888710 0.84 LMNA (0.47) HPGDLMNAPOLBCYP2C19EPHX1
SCHEMBL13544797 0.84 EPHX1 (0.50) LMNAPOLBCYP2C19EPHX1SMN1; SMN2
SCHEMBL435642 0.82 L3MBTL1 (0.63) HPGDLMNAPOLBCYP2C19SMN1; SMN2
SCHEMBL11918239 0.82 CYP2C19 (0.41) LMNACYP2C19EPHX1HSD17B10ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006567-A Polycarbonates with high impact strength THE DOW CHEMICAL COMPANY (US) 1991-04-09 US claimed
US-5006567-A Polycarbonates with high impact strength THE DOW CHEMICAL COMPANY (US) 1991-04-09 US disclosed
US-5006567-A Polycarbonates with high impact strength THE DOW CHEMICAL COMPANY (US) 1991-04-09 US disclosed