SCHEMBL9701841

SCHEMBL9701841

C=CCC(N)(CN)CCCCCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.40
TSHR P16473 3/20 0.40
FDPS P14324 2/20 0.40
DNM1 Q05193 8/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 1/20 0.34
SGPL1 O95470 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
GPR183 P32249 1/20 0.31
TNNC1 P63316 1/20 0.31
CERS2 Q96G23 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL11043945 0.90 TSHR (0.44) SMPD1TSHRFDPSDNM1ALDH1A1
SCHEMBL9681934 0.90 TSHR (0.44) SMPD1TSHRFDPSDNM1ALDH1A1
SCHEMBL9463177 0.90 TSHR (0.44) SMPD1TSHRFDPSDNM1ALDH1A1
SCHEMBL28615894 0.90 TSHR (0.44) SMPD1TSHRFDPSDNM1ALDH1A1
Hydrochloric Acid SCHEMBL11722444 0.88 TSHR (0.43) SMPD1TSHRFDPSDNM1ALDH1A1
Bromide SCHEMBL29216856 0.88 TSHR (0.43) SMPD1TSHRFDPSDNM1ALDH1A1
Hydrochloric Acid SCHEMBL11578293 0.88 TSHR (0.43) SMPD1TSHRFDPSDNM1ALDH1A1
SCHEMBL3237803 0.88 TSHR (0.41) SMPD1TSHRFDPSALDH1A1SGPL1
SCHEMBL9245821 0.81 TSHR (0.40) TSHRFDPSALDH1A1
SCHEMBL19809576 0.81 SMPD1 (0.50) SMPD1TSHRFDPSDNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992005433-A1 CONTINUOUS POSITIVE CHARGE CAPILLARY COLUMNS USED IN CAPILLARY ELECTROPHORESIS KERR ROBERT (FR) 1992-04-02 WO claimed
WO-1992005433-A1 CONTINUOUS POSITIVE CHARGE CAPILLARY COLUMNS USED IN CAPILLARY ELECTROPHORESIS KERR ROBERT (FR) 1992-04-02 WO disclosed