SCHEMBL3437067

SCHEMBL3437067

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2C9 P11712 3/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2D6 P10635 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GGPS1 O95749 1/20 0.41
EPHX1 P07099 1/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL10587518 1.00 IDO1 (0.47) IDO1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL1396047 0.84 CYP3A4 (0.42) IDO1CYP3A4CYP2C9MAPK1KMT2A
SCHEMBL10325517 0.83 IDO1 (0.48) IDO1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL247092 0.83 IDO1 (0.48) IDO1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL247767 0.83 IDO1 (0.48) IDO1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL13165989 0.83 IDO1 (0.48) IDO1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL13165987 0.83 IDO1 (0.48) IDO1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL10646694 0.83 IDO1 (0.42) IDO1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL11431364 0.83 IDO1 (0.42) IDO1CYP3A4CYP2C9CYP1A2CYP2C19
SCHEMBL22122730 0.82 PYCR1 (0.42) IDO1CYP3A4CYP2C9CYP1A2CYP2C19

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
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
WO-2012002773-A2 PHENYLCARBAMATE COMPOUND AND MUSCLE RELAXANT CONTAINING THE SAME BIO-PHARM SOLUTIONS CO., LTD. (KR) 2012-01-05 WO disclosed