SCHEMBL11450503

SCHEMBL11450503

COC1CC(C)CC1N(C(=O)CCCl)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MITF O75030 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ LMNA P02545 3/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ OPRM1 P35372 3/20 0.35
▸ PTGDR2 Q9Y5Y4 3/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL11450498 0.89 ALDH1A1 (0.39) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11436718 0.89 ALDH1A1 (0.39) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11441403 0.88 SMN1; SMN2 (0.37) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11438323 0.87 ALDH1A1 (0.38) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11436728 0.84 ALDH1A1 (0.41) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11465499 0.84 MEN1 (0.41) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11446546 0.84 ALDH1A1 (0.44) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11436432 0.82 ALDH1A1 (0.36) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11450496 0.78 ALDH1A1 (0.39) MITFALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11456933 0.78 MEN1 (0.39) MITFALDH1A1SMN1; SMN2MEN1KMT2A

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
US-4217362-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-08-12 — — US disclosed
US-4212888-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1980-07-15 — — US disclosed
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US disclosed
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