SCHEMBL9211309

SCHEMBL9211309

CCCCCCCCCCCCCCCC(C)(C)NC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
EPHX1 P07099 1/20 0.42
GGPS1 O95749 6/20 0.38
FDPS P14324 9/20 0.37
SMPD1 P17405 2/20 0.35
CES2 O00748 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 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
SCHEMBL9213856 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL21159161 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL11647534 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL29105396 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL29105392 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL27524945 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL20121741 1.00 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL7597619 0.97 EPHX1 (0.38) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL8122880 0.89
Propylamine SCHEMBL11319219 0.89 DNM1 (0.42) TSHRTHRBEPHX1GGPS1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117045862-A Degradable artificial valve material 南京圣德医疗科技有限公司 2023-11-14 CN claimed
CN-117050770-A Method for producing second-generation biodiesel by hydrogenation 湖北天基生物能源科技发展有限公司 2023-11-14 CN claimed
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed