SCHEMBL27689587

SCHEMBL27689587

CCCC[n+]1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
KDM4E B2RXH2 5/20 0.46
HTT P42858 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
RAD52 P43351 2/20 0.46
RGS12 O14924 1/20 0.46
USP2 O75604 1/20 0.46
HSP90AA1 P07900 1/20 0.46
THRB P10828 1/20 0.46
MCL1 Q07820 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.41
GAA P10253 4/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL5522400 0.92 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHTT
SCHEMBL5535221 0.92 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHTT
SCHEMBL28010156 0.92 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHTT
SCHEMBL5513956 0.92 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHTT
SCHEMBL5532642 0.92 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHTT
SCHEMBL5519301 0.92 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2KDM4EHTT
Hydrochloric Acid SCHEMBL28950340 0.91 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2KDM4EHTT
Perchlorate SCHEMBL11793084 0.80 BCHE (0.42) NPC1RAB9ASMN1; SMN2POLBBCHE
SCHEMBL13215505 0.79
Perchlorate SCHEMBL11795106 0.78 NPC1 (0.48) NPC1RAB9ASMN1; SMN2POLBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101020619-B Ionic liquid catalyzed transalkylation process for preparing 2,6-dimethyl naphthalene UNIV HEILONGJIANG 2011-09-14 CN disclosed
CN-101070282-B Process for room-temperature ion liquid-catalytic preparation of ethyl linoleate UNIV HEILONGJIANG 2011-06-15 CN disclosed
CN-100469748-C Production and separation of alkyl aromatic aldehyde CHINA PETROLEUM & CHEMICAL (CN) 2009-03-18 CN disclosed
CN-101081806-A Preparation method of alkyl diphenyl ether CHINA PETROLEUM & CHEMICAL (CN) 2007-12-05 CN disclosed
CN-101070282-A Process for room-temperature ion liquid-catalytic preparation of ethyl linoleate UNIV HEILONGJIANG (CN) 2007-11-14 CN disclosed
CN-101020619-A Ionic liquid catalyzed transalkylation process for preparing 2,6-dimethyl naphthalene UNIV HEILONGJIANG (CN) 2007-08-22 CN disclosed
CN-1982276-A Production and separation of alkyl aromatic aldehyde CHINA NAT PETROLEUM CORP (CN) 2007-06-20 CN disclosed