SCHEMBL10909504

SCHEMBL10909504

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C(=O)Oc4ccc(OC)cc4)cc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.56
▸ MAPT P10636 5/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ GFER P55789 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ ACR P10323 1/20 0.41
▸ DGAT1 O75907 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ USP5 P45974 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ GBA1 P04062 1/20 0.39

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
SCHEMBL10909503 1.00 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10910735 1.00 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10910739 1.00 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10909500 1.00 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11418447 0.96 CYP2C9 (0.60) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL12736720 0.96 CYP2C9 (0.60) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10898816 0.92 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10938649 0.92 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10908041 0.91 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10908044 0.91 CYP2C9 (0.56) CYP2C9MAPTALDH1A1LMNASMN1; SMN2

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
US-4620938-A Hydroterphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-04 — — US disclosed
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