SCHEMBL28293631

SCHEMBL28293631

CCOCOc1c(Cl)cc(Cl)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.47
ERN1 O75460 4/20 0.42
POLB P06746 2/20 0.40
CYP1A2 P05177 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
CYP2D6 P10635 1/20 0.35
LMNA P02545 2/20 0.35
CYP2C19 P33261 1/20 0.34
CCR5 P51681 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8189636 0.87 ORAI1 (0.51) ORAI1ERN1POLBCYP1A2TDP1
SCHEMBL3222717 0.84 ORAI1 (0.49) ORAI1ERN1POLBCYP1A2TDP1
SCHEMBL17513175 0.81 ORAI1 (0.56) ORAI1ERN1POLBCYP1A2TDP1
SCHEMBL16005185 0.79 ORAI1 (0.54) ORAI1ERN1POLBCYP1A2TDP1
SCHEMBL8198170 0.79 ERN1 (0.65) ORAI1ERN1POLBCYP1A2ALDH1A1
SCHEMBL11781754 0.78 ALDH1A1 (0.57) ORAI1ERN1CYP1A2TDP1ALDH1A1
SCHEMBL16005448 0.77 ORAI1 (0.52) ORAI1ERN1POLBCYP1A2TDP1
SCHEMBL1186559 0.75 HPGD (0.50) ERN1TDP1ALDH1A1MEN1KMT2A
SCHEMBL5882741 0.75 ALDH1A1 (0.46) ORAI1ERN1CYP1A2TDP1ALDH1A1
SCHEMBL31551028 0.74 ERN1 (0.53) ORAI1ERN1CYP1A2TDP1ALDH1A1

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
CN-104045552-B Medicinal compound as neuroprotective agent 江苏先声药业有限公司 2019-06-11 CN disclosed