Pentane

Pentane

SCHEMBL6872154

CC(O)N(C(C)O)C(C)O.CCCCC

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
SPHK1 Q9NYA1 2/20 0.37
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
FAAH O00519 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.32
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32
CA1 P00915 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL11973738 0.84 KDM5A (0.40) LMNASPHK1ALDH1A1MEN1MAPK1
Tetradecane SCHEMBL98195 0.80 TP53 (0.52) SPHK1MEN1FAAHMAPK1KMT2A
SCHEMBL3790141 0.80 SPHK1 (0.39) TSHRLMNASPHK1ALDH1A1MEN1
SCHEMBL869285 0.80 SPHK1 (0.39) TSHRLMNASPHK1ALDH1A1MEN1
SCHEMBL868840 0.80 SPHK1 (0.39) TSHRLMNASPHK1ALDH1A1MEN1
SCHEMBL11623479 0.80 SPHK1 (0.39) TSHRLMNASPHK1ALDH1A1MEN1
SCHEMBL2727202 0.80 SPHK1 (0.39) TSHRLMNASPHK1ALDH1A1MEN1
Pentane SCHEMBL7488030 0.79
SCHEMBL37338 0.79 ALDH1A1 (0.46) TSHRLMNAALDH1A1
Valeric Acid SCHEMBL5874657 0.78 AKR1B1 (0.56) TSHRLMNAALDH1A1MEN1KMT2A

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
WO-2004101723-A1 LIQUID DETERSIVE COMPOSITION CONTAINING SODIUM COCOYL ISETHEIONATE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-11-25 WO claimed
US-20040224863-A1 Liquid detersive composition containing sodium cocoyl isethionate HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2004-11-11 US claimed