SCHEMBL17748796

SCHEMBL17748796

CC1(C)OC(=O)C(=C(O)C(Cc2ccc([N+](=O)[O-])cc2)NC(=O)O)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CA2 P00918 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CTSL P07711 2/20 0.38
▸ PSMB1 P20618 1/20 0.38
▸ PSMB5 P28074 1/20 0.38

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
SCHEMBL17157145 0.81 KMT2A (0.43) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL17157142 0.81 KMT2A (0.43) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL17728782 0.76 MEN1 (0.39) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL17728779 0.76 MEN1 (0.39) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL17157185 0.76 LMNA (0.47) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL17157182 0.76 LMNA (0.47) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL18444555 0.75 CA2 (0.54) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL20454423 0.75 CA2 (0.54) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL17157170 0.74 LMNA (0.46) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL17157166 0.74 LMNA (0.46) MEN1KMT2ANPC1TP53RAB9A

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
EP-3218391-B1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2019-01-09 — — EP disclosed
EP-3218391-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE Bristol-Myers Squibb Company (US) 2017-09-20 — — EP disclosed
WO-2016077260-A1 TUBULYSIN ANALOGS AND METHODS OF MAKING AND USE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-19 — — WO disclosed
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