Propane

Propane

SCHEMBL11607477

CCC.O=C(CCS)OCOC(=O)CCS

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
DNM1 Q05193 1/20 0.35
MAPT P10636 2/20 0.34
BLM P54132 1/20 0.34
PAM P19021 2/20 0.34
ACE P12821 2/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 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
SCHEMBL11759205 0.92 ACE (0.38) DGKACYP1A2TSHRHSD17B10ADRA2A
SCHEMBL279949 0.84
SCHEMBL963759 0.82 GAA (0.52) CYP1A2ALDH1A1TSHRHSD17B10MGAM
Ammonia Solution, Strong SCHEMBL28196031 0.82
SCHEMBL28080780 0.81 ACE (0.35) DGKACYP1A2TSHRHSD17B10ADRA2A
Ammonia Solution, Strong SCHEMBL28229706 0.80 GAA (0.50) CYP1A2ALDH1A1TSHRHSD17B10MGAM
Alcohol SCHEMBL29250843 0.80 GAA (0.50) CYP1A2ALDH1A1TSHRHSD17B10MGAM
SCHEMBL5829840 0.80
SCHEMBL16925646 0.78 NAAA (0.48) DGKACYP1A2ALDH1A1TSHRMGAM
SCHEMBL967677 0.78 DGKA (0.48) DGKAALDH1A1ADRA2AADRA1ADNM1

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
US-4072654-A FOR DIENE-POLYMERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-02-07 US disclosed