SCHEMBL13614965

SCHEMBL13614965

CCCc1cc(C(=O)NCC)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.49
LCK P06239 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
HPGD P15428 3/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.42
PLK1 P53350 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6848611 0.90 MAPK14 (0.51) MAPK14LCKNR1H4HPGDALDH1A1
SCHEMBL10950068 0.85 MAPK14 (0.48) MAPK14LCKNR1H4HPGDSMN1; SMN2
SCHEMBL4151138 0.82 NR1H4 (0.61) MAPK14NR1H4HPGDTAS1R3TAS1R1
SCHEMBL2809375 0.81 MRGPRX4 (0.48) HPGDSMN1; SMN2MAPTALDH1A1
SCHEMBL10953197 0.81 SMN1; SMN2 (0.44) MAPK14HPGDCA12CA9SMN1; SMN2
SCHEMBL15337170 0.80 PPARG (0.51) MAPK14HPGDCA12CA9MAPT
SCHEMBL18661954 0.79 MAPK14 (0.51) MAPK14LCKNR1H4HPGDSMN1; SMN2
SCHEMBL3250190 0.78 MAPT (0.59) MAPK14LCKNR1H4HPGDSMN1; SMN2
SCHEMBL12958467 0.78 MAPK14 (0.50) MAPK14LCKNR1H4HPGDALDH1A1
SCHEMBL13265891 0.78 KDM4E (0.58) MAPK14HPGDMAPTALDH1A1MEN1

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-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed