SCHEMBL9841546

SCHEMBL9841546

CCO[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(S(F)(F)(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ CYP2C9 P11712 1/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ ACR P10323 2/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL9842046 0.92 MAPT (0.37) MAPTALDH1A1SMN1; SMN2KMT2ACYP2C9
SCHEMBL9841791 0.89 NPC1 (0.43) MAPTALDH1A1SMN1; SMN2KMT2ACYP2C9
SCHEMBL9842009 0.88 NPC1 (0.44) MAPTALDH1A1SMN1; SMN2KMT2ACYP2C9
SCHEMBL9841455 0.88 NPC1 (0.44) MAPTALDH1A1SMN1; SMN2KMT2ACYP2C9
SCHEMBL9841499 0.88 NPC1 (0.44) MAPTALDH1A1SMN1; SMN2KMT2ACYP2C9
SCHEMBL9841938 0.88 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2KMT2ACYP2C9
SCHEMBL9841478 0.87 CYP2C9 (0.42) MAPTALDH1A1SMN1; SMN2KMT2ACYP2C9
SCHEMBL9841683 0.85 CYP2C9 (0.55) MAPTALDH1A1SMN1; SMN2KMT2ACYP2C9
Fluoride SCHEMBL9841543 0.83 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2KMT2ACYP2C9
SCHEMBL9842083 0.83 CYP2C9 (0.47) MAPTALDH1A1SMN1; SMN2KMT2ACYP2C9

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-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 — — US disclosed
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