SCHEMBL11441403

SCHEMBL11441403

CC(=O)OC1CC(C)CC1N(C(=O)CCCl)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ PTGDR2 Q9Y5Y4 7/20 0.36
▸ TSHR P16473 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ OPRM1 P35372 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 0.89 ALDH1A1 (0.38) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL11441814 0.89 ALDH1A1 (0.38) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL11450503 0.88 MITF (0.39) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL11465499 0.82 MEN1 (0.41) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL11436728 0.82 ALDH1A1 (0.41) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL11446546 0.82 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL11436432 0.81 ALDH1A1 (0.36) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL11437192 0.78 PTGDR2 (0.43) PTGDR2TSHRCYP3A4MAPTCYP2C9
SCHEMBL11436718 0.77 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AKDM4ENPC1
SCHEMBL11450498 0.77 ALDH1A1 (0.39) SMN1; SMN2MEN1KMT2AKDM4ENPC1

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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