SCHEMBL11128686

SCHEMBL11128686

CCc1ccc(C(=O)OC2CCC([C@H]3CC[C@H](OC(=O)c4ccc(CC)cc4)CC3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.46
SERPINE1 P05121 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
STS P08842 4/20 0.43
PLK1 P53350 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4544917 0.95 SCN1A (0.53) SCN1ASCN2ASCN3AALDH1A1MEN1
SCHEMBL27711586 0.95 SCN1A (0.53) SCN1ASCN2ASCN3AALDH1A1MEN1
SCHEMBL13025082 0.94 CYP19A1 (0.46) SCN1ASCN2ASCN3AALDH1A1MEN1
SCHEMBL12199920 0.93 CYP19A1 (0.49) SCN1ASCN2ASCN3AALDH1A1MEN1
SCHEMBL17059012 0.89 CYP19A1 (0.49) SCN1ASCN2ASCN3AALDH1A1MEN1
SCHEMBL28596916 0.88 HTT (0.53) SCN1ASCN2ASCN3AALDH1A1MEN1
SCHEMBL20393532 0.88 ALDH1A1 (0.57) SCN1ASCN2ASCN3AALDH1A1MEN1
SCHEMBL14510074 0.87 SCN1A (0.47) SCN1ASCN2ASCN3AALDH1A1MEN1
SCHEMBL18313821 0.87 HTT (0.59) SCN1ASCN2ASCN3AALDH1A1MEN1
SCHEMBL12199928 0.87 HTT (0.46) SCN1ASCN2ASCN3AALDH1A1MEN1

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
JP-58062138-A None JP disclosed
JP-S5862138-A TRANS, TRANS-BICYCLOHEXYL-4,4'-DIOL DIESTER DERIVATIVE CHISSO CORP 1983-04-13 JP disclosed