SCHEMBL11279474

SCHEMBL11279474

CCCCCCCCCC(C)(C)CC(C)(C)CCCCC(C)(C)CBr

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
GGPS1 O95749 6/20 0.34
FDPS P14324 9/20 0.33
SMPD1 P17405 2/20 0.32
CES2 O00748 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 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
SCHEMBL26632587 0.93 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL10598543 0.93 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL9835291 0.83
SCHEMBL6257463 0.83 FFAR1 (0.42)
SCHEMBL2727626 0.78 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL11805476 0.78 TSHR (0.42) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL19798086 0.77 FDPS (0.41) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL20856568 0.77 TSHR (0.53) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL20856500 0.77 TSHR (0.53) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL21549958 0.77 TSHR (0.53) TSHRTHRBGGPS1FDPSSMPD1

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-4319030-A Alkylated diaza-spirodecanes HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed