SCHEMBL11566596

SCHEMBL11566596

CCCCCCCC(C)(N)C(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.41
FDPS P14324 2/20 0.41
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
DNM1 Q05193 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.35
GGPS1 O95749 1/20 0.34
TNNC1 P63316 4/20 0.34
SGPL1 O95470 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
GPR183 P32249 1/20 0.34
CERS2 Q96G23 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL5014718 0.80 FDPS (0.32) FDPS
SCHEMBL4267627 0.79 SMPD1 (0.42) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL21599243 0.79 SMPD1 (0.42) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL3855455 0.79 ODC1 (0.32) TSHRDNM1MEN1KMT2AALDH1A1
SCHEMBL17350823 0.77 SMPD1 (0.41) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL13970557 0.77 OPRM1 (0.41) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL18894066 0.77 OPRM1 (0.41) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL14246754 0.77 FDPS (0.45) SMPD1FDPSGGPS1
SCHEMBL11230098 0.77 OPRM1 (0.41) SMPD1FDPSTSHRTHRBDNM1
SCHEMBL8368936 0.76 FDPS (0.40) SMPD1FDPSTSHRTHRBDNM1

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-0002258-A2 Hydantoin derivatives and salts thereof, their synthesis and intermediates, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-06-13 EP disclosed