SCHEMBL7754704

SCHEMBL7754704

CCC[Si@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(OC)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD2 P14416 1/20 0.43
KMT2A Q03164 4/20 0.42
GFER P55789 1/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GBA1 P04062 1/20 0.39
HSD11B1 P28845 1/20 0.39
USP5 P45974 1/20 0.38
HPGD P15428 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL7754699 1.00 MAPT (0.50) MAPTALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL7757096 0.92 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL7757100 0.92 MAPT (0.47) MAPTALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL7755539 0.89 KMT2A (0.44) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL7754677 0.89 KMT2A (0.44) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL7757066 0.89 KMT2A (0.40) MAPTALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL7754681 0.89 KMT2A (0.44) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL7755541 0.89 KMT2A (0.44) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL7757062 0.89 KMT2A (0.40) MAPTALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL7754484 0.88 MAPT (0.43) MAPTALDH1A1SMN1; SMN2CYP2C9KMT2A

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-0708107-B1 Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHINETSU CHEMICAL CO (JP) 2001-02-28 EP disclosed
US-5624601-A Silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-29 US disclosed
EP-0708107-A1 Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-04-24 EP disclosed