SCHEMBL16070804

SCHEMBL16070804

Cc1cccc(Cl)c1[C@H](O)[C@H](C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
PNMT P11086 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCL8 P10145 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HDAC4 P56524 1/20 0.32

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
SCHEMBL20604426 0.87 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL252624 0.87 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL252783 0.87 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL252782 0.87 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL252963 0.87 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL252962 0.87 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL19415506 0.87 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL20604401 0.87 CYP1A2 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL16071369 0.85 GAA (0.33) GAAALDH1A1CA1CA2CA7
SCHEMBL18567607 0.85 GAA (0.33) GAAALDH1A1CA1CA2CA7

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-2797880-B1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY BIO-PHARM SOLUTIONS CO LTD (KR) 2017-03-01 EP disclosed
WO-2014142477-A1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING PEDIATRIC EPILESY AND EPILESY-RELATED SYNDROMES BIO-PHARM SOLUTIONS CO., LTD. (KR) 2014-09-18 WO disclosed