SCHEMBL4078245

SCHEMBL4078245

O=C(CCl)Oc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
TAAR1 Q96RJ0 2/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GAA P10253 1/20 0.49
PPARG P37231 3/20 0.49
PPARA Q07869 2/20 0.49
FFAR1 O14842 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
ATM Q13315 1/20 0.44
CYP19A1 P11511 1/20 0.44
ELANE P08246 1/20 0.44
HDAC1 Q13547 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
SCHEMBL137047 0.85 CYP19A1 (0.52) KMT2ANPC1RAB9ATDP1ATM
SCHEMBL11467265 0.83 CYP19A1 (0.50) KMT2ANPC1RAB9ATDP1ATM
SCHEMBL4095285 0.82 KMT2A (0.52) KMT2ARAB9AGAASMN1; SMN2MEN1
SCHEMBL10499600 0.81 RNF4 (0.57) NPC1RAB9AFFAR1SMN1; SMN2CYP19A1
SCHEMBL17951284 0.79 KMT2A (0.78) KMT2ANPC1RAB9AFFAR1FFAR4
SCHEMBL18566942 0.78 CYP19A1 (0.55) KMT2APPARGPPARASMN1; SMN2TDP1
SCHEMBL10390223 0.78 RAB9A (0.50) KMT2ANPC1RAB9APPARGPPARA
SCHEMBL717987 0.78 NPC1 (0.65) KMT2ATAAR1NPC1RAB9AGAA
SCHEMBL11839597 0.78 ALDH1A1 (0.62) KMT2ASMN1; SMN2MEN1CYP19A1
SCHEMBL3154002 0.77 CYP19A1 (0.58) KMT2ASMN1; SMN2TDP1ATMCYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845970-A4 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS INC (US) 2009-02-18 EP disclosed
EP-1845970-A2 TUMOR NECROSIS FACTOR INHIBITORS Ception Therapeutics, Inc. (US) 2007-10-24 EP disclosed
WO-2006083970-A2 TUMOR NECROSIS FACTOR INHIBITORS CEPTION THERAPEUTICS, INC. (US) 2006-08-10 WO disclosed