SCHEMBL10993926

SCHEMBL10993926

CC(O)CN=C1CC(C)(C)Oc2cc(C(C)(C)C)cc(O)c21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ CNR1 P21554 4/20 0.33
▸ CNR2 P34972 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10983466 0.87 ALDH1A1 (0.40) ALDH1A1CNR1CNR2RAB9ANPC1
SCHEMBL10994157 0.78 CNR2 (0.46) CNR1CNR2
SCHEMBL10987114 0.74 CNR1 (0.41) CNR1CNR2
SCHEMBL10992892 0.71 ALDH1A1 (0.38) ALDH1A1CNR1CNR2RAB9ANPC1
SCHEMBL10988783 0.68 CNR2 (0.51) CNR1CNR2
SCHEMBL10993423 0.68 CNR2 (0.48) CNR1CNR2
SCHEMBL10988532 0.68 CNR2 (0.45) CNR1CNR2
SCHEMBL10993562 0.68 ALDH1A1 (0.43) ALDH1A1CNR1CNR2RAB9ANPC1
SCHEMBL10991369 0.64 CNR2 (0.46) CNR1CNR2MEN1KMT2A
SCHEMBL10992354 0.63 CNR1 (0.43) CNR1CNR2

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-4497820-A Substituted iminoderivatives of dihydrobenzopyran and dihydrobenzothiopyran FARMITALIA CARLO ERBA S.P.A. (IT) 1985-02-05 — — US disclosed
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