Octane

Octane

SCHEMBL15530830

CC(C)(C)P(C=C(c1ccccn1)c1ccccn1)C(C)(C)C.CCCCCCCC.CCCCCCCC.PC=C(c1ccccn1)c1ccccn1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALOX12 P18054 2/20 0.45
RAB9A P51151 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
ALDH1A1 P00352 4/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL15364611 0.83 ALDH1A1 (0.46) LMNAKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL15364482 0.77 LMNA (0.50) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL15364655 0.77 LMNA (0.50) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL27992951 0.75 ALDH1A1 (0.54) LMNAKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL15364656 0.70 LMNA (0.43) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL15364055 0.70 LMNA (0.46) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL22362216 0.68 LMNA (0.69) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL15364277 0.67 ALDH1A1 (0.48) LMNAKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL14288483 0.66 HDAC1 (0.52) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL25429589 0.65 LMNA (0.60) LMNAKDM4EHTTSMN1; SMN2ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844678-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY Bridgestone Corporation (JP) 2015-03-11 EP disclosed
WO-2013166124-A1 POLYDIENES AND DIENE COPOLYMERS HAVING ORGANOPHOSPHINE FUNCTIONALITY BRIDGESTONE CORPORATION (JP) 2013-11-07 WO disclosed