SCHEMBL9207845

SCHEMBL9207845

CCCCCCCC(C)(C)[N]CCCCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
NAAA Q02083 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GGPS1 O95749 6/20 0.35
FDPS P14324 9/20 0.34
SMPD1 P17405 2/20 0.33
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL9211618 1.00 TSHR (0.38) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL9210929 1.00 TSHR (0.38) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL9211151 1.00 TSHR (0.38) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL9214427 1.00 TSHR (0.38) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL9210133 0.95 TSHR (0.38) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL9205896 0.91 TSHR (0.38) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL9210079 0.91 TSHR (0.38) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL9206079 0.91 TSHR (0.38) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL9204089 0.91 TSHR (0.38) TSHRTHRBNAAAMEN1KMT2A
SCHEMBL9213654 0.83 FDPS (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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