Propane

Propane

SCHEMBL11201917

CCC.CCC.Cc1cc(O)cc(C)c1-c1ccc(O)cc1.Cc1cc(O)cc(C)c1-c1ccc(O)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.50
ESR1 P03372 10/20 0.44
ESR2 Q92731 9/20 0.44
ABL1 P00519 1/20 0.44
ABCB1 P08183 1/20 0.44
BCR P11274 1/20 0.44
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOA P21397 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
USP7 Q93009 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39

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
SCHEMBL6246454 0.93 SENP1 (0.56) SENP1ESR1ESR2ABL1ABCB1
Water SCHEMBL11499545 0.91 SENP1 (0.54) SENP1ESR1ESR2ABL1ABCB1
SCHEMBL6248301 0.84 ABL1 (0.56) SENP1ESR1ESR2ABL1ABCB1
SCHEMBL2846017 0.82 SENP1 (0.54) SENP1ESR1ESR2ABL1ABCB1
SCHEMBL28513369 0.80 SENP1 (0.44) SENP1ESR1ESR2CYP3A4CHRM1
SCHEMBL7809088 0.80 SENP1 (0.52) SENP1ESR1ESR2ABL1ABCB1
SCHEMBL28696279 0.80 SENP1 (0.52) SENP1ESR1ESR2ABL1ABCB1
SCHEMBL28107432 0.79 ESR1 (0.46) SENP1ESR1ESR2CYP3A4
SCHEMBL9090566 0.78 SENP1 (0.50) SENP1ESR1ESR2ABL1ABCB1
SCHEMBL1513560 0.77 ESR2 (0.57) ESR1ESR2CYP3A4CHRM1ALOX15

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-4387251-A BY CONDENSATION OF A KETONE WITH PHENOL IN THE PRESENCE OF AN AROMATIC SULFONIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1983-06-07 US disclosed