SCHEMBL7797887

SCHEMBL7797887

N[C@@H](Cc1ccc(N(CCCl)CCCCl)cc1)C(=O)O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.89
▸ CYP3A4 P08684 3/20 0.89
▸ ALDH1A1 P00352 3/20 0.89
▸ SMN1; SMN2 Q16637 3/20 0.89
▸ LMNA P02545 3/20 0.89
▸ ALOX15 P16050 2/20 0.89
▸ NFKB1 P19838 2/20 0.89
▸ THPO P40225 2/20 0.89
▸ MAPT P10636 2/20 0.89
▸ PMP22 Q01453 2/20 0.89
▸ KMT2A Q03164 2/20 0.89
▸ PTGS1 P23219 2/20 0.89
▸ ABCB11 O95342 1/20 0.89
▸ CHRM2 P08172 1/20 0.89
▸ ADRA2A P08913 1/20 0.89
▸ CHRM1 P11229 1/20 0.89
▸ ACHE P22303 1/20 0.89
▸ OPRM1 P35372 1/20 0.89
▸ DRD3 P35462 1/20 0.89
▸ SLC6A3 Q01959 1/20 0.89

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
Melphalan SCHEMBL5325132 0.94 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
(R)-Melphalan SCHEMBL5873 0.94 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Melphalan SCHEMBL563239 0.94 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Sarcolysin SCHEMBL414671 0.94 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Melphalan SCHEMBL5872 0.94 HIF1A (1.00) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Melphalan SCHEMBL11029192 0.93 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Sarcolysin SCHEMBL2680958 0.93 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Melphalan SCHEMBL2723742 0.93 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Sarcolysin SCHEMBL28782154 0.93 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
Melphalan SCHEMBL4150935 0.93 HIF1A (0.97) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA

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-8765720-B2 Combination therapy for the treatment of multiple myeloma CEPHALON, INC. (US) 2014-07-01 — — US disclosed
WO-2010138141-A1 COMBINATION THERAPY FOR THE TREATMENT OF MULTIPLE MYELOMA CEPHALON, INC. (US) 2010-12-02 — — WO disclosed
WO-2010138101-A1 COMBINATION THERAPY FOR THE TREATMENT OF MULTIPLE MYELOMA USING CEP-18770 TOGETHER WITH BORTEZOMIB OR MEPHALAN CEPHALON, INC. (US) 2010-12-02 — — WO disclosed
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