SCHEMBL10657935

SCHEMBL10657935

N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1cccc(N(CCCl)CCCl)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ CYP3A4 P08684 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ ACHE P22303 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ NFKB1 P19838 1/20 0.52

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
SCHEMBL24100736 0.91 LMNA (0.67) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL26120613 0.91 LMNA (0.67) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL10657196 0.91 LMNA (0.48) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL10653360 0.91 LMNA (0.48) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL11281437 0.90 LMNA (0.47) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL10655585 0.89 FNTA (0.49) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL10653336 0.89 FNTA (0.49) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL10653540 0.88 LMNA (0.47) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL6838403 0.88 LMNA (0.47) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL10654417 0.88 LMNA (0.47) LMNACYP3A4ALDH1A1ALOX15SMN1; SMN2

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-4740501-A ANTITUMOR AGENT PROTER S.P.A. (IT) 1988-04-26 — — US disclosed
US-4540683-A In vitro and in vivo treatment of cancer cells and treatment of viruses with a tripeptide compound PROTER S.P.A. (IT) 1985-09-10 — — US disclosed
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