SCHEMBL19254449

SCHEMBL19254449

Cc1cccc(Cl)c1C(O)C(O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
PNMT P11086 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CXCL8 P10145 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
ADRB1 P08588 2/20 0.31
AOC3 Q16853 1/20 0.31
MAPT P10636 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL16071369 1.00 GAA (0.33) GAACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL18567607 1.00 GAA (0.33) GAACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL252878 0.88 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL252562 0.88 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL252561 0.88 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL252877 0.88 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL252314 0.88 CYP1A2 (0.36) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL18567608 0.86 CA1 (0.39) CYP1A2CYP3A4CYP2D6NFKB1ALDH1A1
SCHEMBL16070804 0.85 GAA (0.35) GAACYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL19979060 0.80 ALDH1A1 (0.37) GAACYP1A2CYP3A4CYP2D6NFKB1

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-2797878-B1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING STROKE BIO-PHARM SOLUTIONS CO LTD (KR) 2017-08-16 EP disclosed