SCHEMBL11441814

SCHEMBL11441814

CC(=O)O[C@@H]1CC(Cl)C[C@H]1N(C(=O)CCCl)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MITF O75030 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ LMNA P02545 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ PTGDR2 Q9Y5Y4 7/20 0.35
▸ HTT P42858 2/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL11442548 1.00 ALDH1A1 (0.38) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11441403 0.89 SMN1; SMN2 (0.37) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11436718 0.88 ALDH1A1 (0.39) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11450498 0.88 ALDH1A1 (0.39) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11450496 0.87 ALDH1A1 (0.39) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11435695 0.82 CHRM3 (0.39) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11438333 0.82 ALDH1A1 (0.36) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11465725 0.81 ALDH1A1 (0.45) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11446840 0.81 ALDH1A1 (0.45) ALDH1A1KMT2AMITFSMN1; SMN2MEN1
SCHEMBL11447829 0.81 ALDH1A1 (0.45) ALDH1A1KMT2AMITFSMN1; SMN2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4128663-A Anilide derivatives as antidepressants THE UPJOHN COMPANY (US) 1978-12-05 — — US claimed
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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