SCHEMBL28074487

SCHEMBL28074487

C[CH]Cc1cc(Cl)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.61
HIF1A Q16665 4/20 0.61
ALOX15 P16050 4/20 0.61
CYP3A4 P08684 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
HTT P42858 3/20 0.61
ALOX12 P18054 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HSP90AA1 P07900 2/20 0.61
MAPT P10636 2/20 0.61
SLC22A1 O15245 1/20 0.61
USP2 O75604 1/20 0.61
LMNA P02545 1/20 0.61
HSPD1 P10809 1/20 0.61
HSPA5 P11021 1/20 0.61
IDO1 P14902 1/20 0.61
CASP1 P29466 1/20 0.61
BLM P54132 1/20 0.61
HSPE1 P61604 1/20 0.61

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
SCHEMBL28026745 0.82 CYP3A4 (0.43) HPGDHIF1AALOX15CYP3A4MEN1
SCHEMBL20656766 0.82 ALOX15 (0.63) HPGDHIF1AALOX15CYP3A4MEN1
SCHEMBL10908436 0.81 HTT (0.60) HPGDHIF1AALOX15CYP3A4MEN1
SCHEMBL2490536 0.80 GABRA1 (0.66) HPGDHIF1AALOX15CYP3A4MEN1
SCHEMBL2597823 0.80 HIF1A (0.61) HPGDHIF1AALOX15CYP3A4MEN1
SCHEMBL622778 0.77 HPGD (0.68) HPGDHIF1AALOX15CYP3A4MEN1
SCHEMBL364080 0.77 HIF1A (0.68) HPGDHIF1AALOX15CYP3A4MEN1
Dichlorophen SCHEMBL18052 0.76 CYP3A4 (1.00) HPGDHIF1AALOX15CYP3A4MEN1
Dichlorophen SCHEMBL9109126 0.76 CYP3A4 (1.00) HPGDHIF1AALOX15CYP3A4MEN1
Dichlorophen SCHEMBL29349447 0.76 CYP3A4 (1.00) HPGDHIF1AALOX15CYP3A4MEN1

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-105611923-A Sodium channel modulators for the treatment of pain and diabetes CHROMOCELL CORP 2016-05-25 CN disclosed