SCHEMBL7898360

SCHEMBL7898360

CN(C)CC(O)COc1ccc(C(=O)c2ccccc2)c(CCl)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.53
HIF1A Q16665 2/20 0.52
CDK4 P11802 1/20 0.46
HPGD P15428 2/20 0.45
RAD52 P43351 1/20 0.45
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
Chloromethane SCHEMBL8216574 0.82 ABCB1 (0.72) ABCB1HIF1ACDK4HPGDHTT
SCHEMBL6552266 0.81 ABCB1 (0.76) ABCB1HIF1ACDK4HPGDHTT
Chloromethane SCHEMBL1132204 0.81 ABCB1 (0.70) ABCB1HIF1ACDK4HPGDHTT
Hydrochloric Acid SCHEMBL22228312 0.80 ABCB1 (0.74) ABCB1HIF1ACDK4HPGDHTT
SCHEMBL30069001 0.74 HPGD (0.62) ABCB1HIF1AHPGDHTTPOLB
SCHEMBL9208030 0.74 HPGD (0.62) ABCB1HIF1AHPGDHTTPOLB
Benzamide SCHEMBL4775810 0.73 HIF1A (0.58) ABCB1HIF1ACDK4HPGDHTT
SCHEMBL258823 0.72 HIF1A (0.75) ABCB1HIF1ACDK4HPGDHTT
SCHEMBL10336694 0.72 HIF1A (0.69) HIF1ACDK4HPGDHTTMEN1
SCHEMBL9448527 0.72 HIF1A (0.69) ABCB1HIF1AHPGDHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873367-B1 PROCESS OF PRODUCING GELS WITH THERMOTROPIC PROPERTIES BASF AG (DE) 2001-06-27 EP disclosed
EP-0678534-B1 Gels having thermotropic properties BASF AG (DE) 2000-06-28 EP disclosed
EP-0873367-A1 GELS WITH THERMOTROPIC PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1997025357-A1 GELS WITH THERMOTROPIC PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 1997-07-17 WO disclosed
WO-1997025358-A1 GELS WITH THERMOTROPIC PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 1997-07-17 WO disclosed
EP-0678534-A1 Gels having thermotropic properties BASF Aktiengesellschaft (DE) 1995-10-25 EP disclosed