Butane

Butane

SCHEMBL27554305

CCCC.Cc1c(C)c(Cc2ccccc2)c(C)c(C)c1O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
KDM4E B2RXH2 8/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
JAK2 O60674 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
MPI P34949 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NQO1 P15559 1/20 0.41
SHBG P04278 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
SCHEMBL3050270 0.84 CNR2 (0.46) CNR2GPR55KDM4EHPGDALDH1A1
SCHEMBL27967513 0.82 KDM4E (0.44) KDM4EHPGDALDH1A1HTTPOLB
SCHEMBL9804544 0.82 KDM4E (0.46) KDM4EHPGDALDH1A1HTTPOLB
SCHEMBL28184539 0.81 KDM4E (0.43) KDM4EHPGDALDH1A1HTTPOLB
SCHEMBL9190942 0.81 CALM1 (0.55) KDM4EHPGDALDH1A1HTTPOLB
SCHEMBL24505329 0.80 KDM4E (0.45) CNR2GPR55KDM4EHPGDALDH1A1
SCHEMBL28313729 0.79 CALM1 (0.58) KDM4EHTTPOLBLMNAGAA
SCHEMBL30168838 0.78 ESR1 (0.54) IDH1
SCHEMBL10870265 0.77 KDM4E (0.43) KDM4EHPGDALDH1A1HTTPOLB
SCHEMBL10870748 0.77 KDM4E (0.43) KDM4EHPGDALDH1A1HTTPOLB

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
CN-1182115-C 4-Formylamino-N-methylpiperidine derivatives, their use as stabilizers and the resulting stabilized organic substances 巴斯福股份公司 2004-12-29 CN disclosed
CN-1420871-A 4-formyl amino-N- methylpiperidine derivs., use thereof as stabilisers and organic material stabilised therewith BASF AG (DE) 2003-05-28 CN disclosed