SCHEMBL20739466

SCHEMBL20739466

O=C1c2ccccc2C(O)N1OCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36

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
SCHEMBL4550852 0.81 RAB9A (0.48) RAB9ANPC1TP53SMN1; SMN2TSHR
SCHEMBL23790725 0.79 RAB9A (0.43) RAB9ANPC1TP53SMN1; SMN2TSHR
SCHEMBL21205742 0.79 RAB9A (0.43) RAB9ANPC1TP53SMN1; SMN2TSHR
SCHEMBL20468205 0.79 RAB9A (0.43) RAB9ANPC1TP53SMN1; SMN2TSHR
SCHEMBL18914923 0.78 RAB9A (0.42) RAB9ANPC1TP53SMN1; SMN2TSHR
SCHEMBL20468136 0.77 RAB9A (0.41) RAB9ANPC1TP53SMN1; SMN2TSHR
SCHEMBL18881076 0.77 GAA (0.41) RAB9ANPC1TP53SMN1; SMN2TSHR
SCHEMBL20902085 0.76 GAA (0.43) RAB9ANPC1TP53SMN1; SMN2TSHR
SCHEMBL18474054 0.76 RAB9A (0.41) RAB9ANPC1TP53SMN1; SMN2TSHR
SCHEMBL19968631 0.75 RAB9A (0.45) RAB9ANPC1TP53SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019032631-A1 OXIME ETHER COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-14 — — WO disclosed
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