SCHEMBL11599656

SCHEMBL11599656

Cc1cc(O)ccc1S.Cc1cc(O)ccc1S.Cc1cc(O)ccc1S.OP(O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CHRM1 P11229 1/20 0.41
ALOX15 P16050 1/20 0.41
MAOA P21397 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
ESR2 Q92731 9/20 0.41
ESR1 P03372 8/20 0.41
ACHE P22303 3/20 0.39
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B1 P14061 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL926862 0.93
SCHEMBL27598099 0.74 ESR2 (0.49) ESR2ESR1HSD17B1
SCHEMBL63574 0.73
SCHEMBL27617030 0.70 ABL1 (0.48) CYP3A4ESR2ESR1TSHRHSD17B1
SCHEMBL29767277 0.69
SCHEMBL29405862 0.69
SCHEMBL125704 0.69
SCHEMBL330857 0.69
SCHEMBL75988 0.69
SCHEMBL11599261 0.68 TRPA1 (0.52) CHRM1ALOX15ADRA1AHTR2BACHE

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-RE29523-E Olefinic polymers stabilized with thioacyl trivalent phosphorus compounds BORG-WARNER CORPORATION (US) 1978-01-24 US disclosed