SCHEMBL15067441

SCHEMBL15067441

CC(Cc1ccc(Cl)cc1Cl)C(CNC(=O)O)OC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.44
EPHX1 P07099 2/20 0.42
GAA P10253 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP2C9 P11712 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL248588 0.80 HDAC8 (0.46) HDAC8EPHX1GAACYP3A4CYP1A2
SCHEMBL19254238 0.78 HDAC8 (0.46) HDAC8EPHX1GAACYP3A4CYP1A2
SCHEMBL15066568 0.74 HDAC8 (0.45) HDAC8CYP3A4CYP1A2CYP2D6ALOX15
SCHEMBL23347536 0.71 ATM (0.48) HDAC8EPHX1GAAMETAP2METAP1
SCHEMBL15088574 0.71 EPHX1 (0.42) HDAC8EPHX1GAACYP3A4CYP2C9
SCHEMBL4983591 0.70 HDAC8 (0.51) HDAC8EPHX1GAACYP2D6CYP2C19
SCHEMBL9780834 0.68 CYP3A4 (0.52) HDAC8EPHX1GAACYP3A4CYP1A2
SCHEMBL6005671 0.68 CYP3A4 (0.52) HDAC8EPHX1GAACYP3A4CYP1A2
SCHEMBL30035044 0.68 ALDH1A1 (0.50) GAACYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL697972 0.68 ALDH1A1 (0.63) ALDH1A1

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-2797881-A1 Phenyl alkyl carbamate derivative compound and pharmaceutical composition containing the same Bio-Pharm Solutions Co., Ltd. (KR) 2014-11-05 EP disclosed
WO-2013100566-A1 Phenyl alkyl carbamate derivative compound and pharmaceutical composition containing the same BIO-PHARM SOLUTIONS CO., LTD. (KR) 2013-07-04 WO disclosed