SCHEMBL9112677

SCHEMBL9112677

C=COC(C)(C)CCCCCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
GGPS1 O95749 7/20 0.38
FDPS P14324 10/20 0.36
SMPD1 P17405 4/20 0.35
CES2 O00748 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
THRB P10828 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
SCHEMBL8008433 1.00 TSHR (0.39) TSHRGGPS1FDPSSMPD1CES2
SCHEMBL9004671 1.00 TSHR (0.39) TSHRGGPS1FDPSSMPD1CES2
SCHEMBL18699075 0.89
SCHEMBL14046812 0.81
SCHEMBL2109068 0.78 GGPS1 (0.42) TSHRGGPS1FDPSSMPD1LPAR1
SCHEMBL2110488 0.78 GGPS1 (0.42) TSHRGGPS1FDPSSMPD1LPAR1
SCHEMBL93146 0.78 GGPS1 (0.42) TSHRGGPS1FDPSSMPD1LPAR1
SCHEMBL93198 0.78 GGPS1 (0.42) TSHRGGPS1FDPSSMPD1LPAR1
SCHEMBL2107760 0.78 GGPS1 (0.42) TSHRGGPS1FDPSSMPD1LPAR1
SCHEMBL2110793 0.78 GGPS1 (0.42) TSHRGGPS1FDPSSMPD1LPAR1

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
EP-0637990-A1 DIAPHRAGM BASED ON GRAFT COPOLYMERS. GEESTHACHT GKSS FORSCHUNG (DE) 1995-02-15 EP disclosed