SCHEMBL15084293

SCHEMBL15084293

C[C@H](O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
CYP3A4 P08684 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2C9 P11712 3/20 0.48
MAPK1 P28482 1/20 0.48
CYP2D6 P10635 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX15 P16050 2/20 0.47
EPHX1 P07099 1/20 0.46
HDAC8 Q9BY41 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX12 P18054 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GGPS1 O95749 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2424845 1.00 IDO1 (0.50) IDO1CYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL15083013 0.85 EPHX1 (0.48) IDO1CYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL2659771 0.83 IDO1 (0.54) IDO1CYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL5950406 0.82 PNMT (0.47) CYP3A4CYP1A2CYP2C19CYP2C9MAPK1
SCHEMBL7913322 0.82 IDO1 (0.52) IDO1CYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL8422598 0.82 IDO1 (0.52) IDO1CYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL3437067 0.81 IDO1 (0.47) IDO1CYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL10587522 0.81 TYR (0.51) IDO1CYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL3237063 0.81 IDO1 (0.47) IDO1CYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL10587518 0.81 IDO1 (0.47) IDO1CYP3A4CYP1A2CYP2C19CYP2C9

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-2797878-B1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING STROKE BIO-PHARM SOLUTIONS CO LTD (KR) 2017-08-16 EP disclosed
WO-2013100567-A1 PHENYL CARBAMATE COMPOUNDS FOR USE IN ALLEVIATING OR TREATING PAIN AND NEUROPATHIC PAIN BIO-PHARM SOLUTIONS CO., LTD. (KR) 2013-07-04 WO disclosed