SCHEMBL17166005

SCHEMBL17166005

C=C(C)C(=O)OC1C2C[C@@]3(C#N)C(=O)OC1C3O2

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1219045 1.00 KDM4E (0.30) KDM4ENPC1POLBMAPTPKM
SCHEMBL12977713 0.88 — —
SCHEMBL22399763 0.88 — —
SCHEMBL76320 0.81 KDM4E (0.32) KDM4ENPC1POLBMAPTPKM
SCHEMBL1216386 0.80 KDM4E (0.31) KDM4ENPC1POLBMAPTPKM
SCHEMBL1218587 0.80 KDM4E (0.31) KDM4ENPC1POLBMAPTPKM
SCHEMBL14617250 0.79 — —
SCHEMBL12204602 0.79 HMGCR (0.32) —
SCHEMBL1219030 0.77 KDM4E (0.32) KDM4ENPC1POLBMAPTPKM
SCHEMBL21432112 0.77 KDM4E (0.30) KDM4ENPC1POLBMAPTPKM

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
US-9158198-B2 Photoresist compositions and methods of forming photolithographic patterns ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2015-10-13 — — US disclosed
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