SCHEMBL11301693

SCHEMBL11301693

CCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCC)Oc1cccc(CN)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
DHFR P00374 3/20 0.43
PLA2G2A P14555 1/20 0.43
PLA2G4B P0C869 1/20 0.42
GGPS1 O95749 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL11442973 0.86 PLA2G2A (0.51) TSHRPLA2G2A
SCHEMBL24675796 0.82 TSHR (0.59) TSHRDHFRPLA2G4BGGPS1
SCHEMBL11299159 0.81 HTT (0.41) TSHRPLA2G2A
SCHEMBL15923537 0.81 TSHR (0.66) TSHRDHFRPLA2G4BGGPS1PPARG
SCHEMBL9819746 0.81 TSHR (0.66) TSHRDHFRPLA2G4BGGPS1PPARG
SCHEMBL17402425 0.81 TSHR (0.66) TSHRDHFRPLA2G4BGGPS1PPARG
SCHEMBL25170047 0.81 TSHR (0.66) TSHRDHFRPLA2G4BGGPS1PPARG
SCHEMBL15922807 0.81 TSHR (0.66) TSHRDHFRPLA2G4BGGPS1PPARG
SCHEMBL27345369 0.79 LTA4H (0.50) TSHRPLA2G2A
SCHEMBL6529839 0.79 TSHR (0.63) TSHRDHFRPLA2G4BGGPS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4262021-A INDUCERS OF PRODUCTION OF INTERFERON PFIZER INC. (US) 1981-04-14 US disclosed
US-4215146-A Antiviral amine derivatives of glycerol and propanediols PFIZER INC. (US) 1980-07-29 US disclosed
US-4193999-A Antiviral amine derivatives of propanediols PFIZER INC. (US) 1980-03-18 US disclosed