SCHEMBL8964373

SCHEMBL8964373

C=CC(=O)OC(C)CC(=O)NN

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
ALDH1A1 P00352 4/20 0.33
CTSD P07339 1/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL27879928 0.84 TSHR (0.45) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL29207442 0.78 TSHR (0.42) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL11694160 0.77 TSHR (0.45) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL27988585 0.76 TSHR (0.38) TSHRHPGD
SCHEMBL28881519 0.76 TSHR (0.44) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL27666160 0.76 TSHR (0.44) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL202442 0.75
SCHEMBL672062 0.74 TSHR (0.50) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL6275105 0.74 TSHR (0.50) TSHRALDH1A1HPGDTP53HIF1A
SCHEMBL4410095 0.74 CTSD (0.41) TSHRALDH1A1CTSDCYP3A4

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-0488627-B1 Oxygen permeable contact lens and method of manufacture therefor PILKINGTON BARNES HIND INC (US) 1996-02-14 EP disclosed
US-5170192-A Crosslinked interpenetrating network copolymers; addition polymerization PILKINGTON VISIONCARE, INC. (US) 1992-12-08 US disclosed
EP-0488627-A2 Oxygen permeable contact lens and method of manufacture therefor PARAGON VISION SCIENCES, INC. (US) 1992-06-03 EP disclosed