SCHEMBL11440496

SCHEMBL11440496

CCc1cc(NC(=O)C2(C)CC2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ HTT P42858 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ FAAH O00519 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL11435140 0.91 KMT2A (0.42) LMNAMAPTNPSR1KMT2AHTT
SCHEMBL11439258 0.88 TDP1 (0.47) LMNAMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL11442327 0.85 RORC (0.45) LMNAMAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL11447864 0.85 LMNA (0.45) LMNAMAPTNPSR1KMT2AHTT
SCHEMBL11566094 0.82 SMN1; SMN2 (0.57) LMNAMAPTNPSR1KMT2AHTT
SCHEMBL11566363 0.81 LMNA (0.44) LMNAMAPTNPSR1KMT2AHTT
SCHEMBL19190174 0.80 BACE1 (0.50) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL11442118 0.80 KCNK3 (0.49) LMNAMAPTNPSR1KMT2ASMN1; SMN2
SCHEMBL5952426 0.79 ALDH1A1 (0.59) LMNAMAPTKMT2AHTTSMN1; SMN2
SCHEMBL13180237 0.77 KMT2A (0.50) LMNAMAPTNPSR1KMT2AHTT

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
US-4199347-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1980-04-22 — — US disclosed
US-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 — — US disclosed
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