Pentane

Pentane

SCHEMBL9329065

CCCCC.Oc1cccc2ccc3cc4ccccc4cc3c12

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DNMT1 P26358 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
MCL1 Q07820 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CYP1A2 P05177 2/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
CYP19A1 P11511 1/20 0.39
HTR2A P28223 2/20 0.38
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.36

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
Ethane SCHEMBL439760 0.88 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL30345820 0.88 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL1321553 0.88 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL8463959 0.86 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ADNMT1CACNA1B
Ammonia Solution, Strong SCHEMBL940145 0.86 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ADNMT1CACNA1B
Methane SCHEMBL11127881 0.86 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ADNMT1CACNA1B
Phosphine SCHEMBL1065290 0.86 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ADNMT1CACNA1B
Benzene SCHEMBL21546030 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL17111470 0.77 TLR8 (0.42) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL27797746 0.75 LIPG (0.45) MCL1KCNH2

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-0304125-B1 Heat-hardenable compositions based on polyglycidyl ethers and polyhydric phenols, halogenated tetraphenols, polyglycidyl ethers and process for preparing tetraphenols SHELL INT RESEARCH (NL) 1994-03-23 EP disclosed
EP-0304125-A2 Heat-hardenable compositions based on polyglycidyl ethers and polyhydric phenols, halogenated tetraphenols, polyglycidyl ethers and process for preparing tetraphenols SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-02-22 EP disclosed