SCHEMBL27369768

SCHEMBL27369768

CCCCc1cc(C)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TACR1 P25103 2/20 0.40
PTGS2 P35354 4/20 0.38
CYP3A4 P08684 1/20 0.38
SKP2 Q13309 1/20 0.38
HTR1D P28221 1/20 0.37
NOS2 P35228 1/20 0.37
CNR2 P34972 2/20 0.36
GPR84 Q9NQS5 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
CNR1 P21554 1/20 0.33
POLB P06746 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
SCHEMBL21514046 0.94 PTGS2 (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28249284 0.88 HPGD (0.47) NPC1HPGDMAPK1HTTRAB9A
Phenol SCHEMBL28224997 0.86 TACR1 (0.47) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL21400112 0.83 NOS1 (0.47) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL12062441 0.81 HTR1D (0.47) TACR1CYP3A4HTR1DNOS3NOS1
SCHEMBL11793154 0.81 HPGD (0.58) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9735712 0.81 HPGD (0.58) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28181909 0.80 PTGS2 (0.53) PTGS2CYP3A4GPR84
SCHEMBL18643576 0.79 TACR1 (0.44) MAPK1TACR1CYP3A4HTR1DRXRA
SCHEMBL22861056 0.79 NPC1 (0.40) NPC1HPGDMAPK1HTTRAB9A

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-1067525-A The regeneration method of polyethylene cable waste material UNIV XI AN JIAOTONG (CN) 1992-12-30 CN disclosed