SCHEMBL6439774

SCHEMBL6439774

C=CC(=O)OCC(C)(O)CO

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TP53 P04637 3/20 0.62
HIF1A Q16665 3/20 0.62
CYP3A4 P08684 2/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TSHR P16473 7/20 0.47
THRB P10828 2/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL18051653 0.90 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL10938162 0.84 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL6666006 0.83 ALDH1A1 (0.41) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL6665999 0.83 ALDH1A1 (0.41) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18051642 0.82 ALDH1A1 (0.50) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL180609 0.82 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL230726 0.82 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL1374292 0.81 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL3146174 0.81 ALDH1A1 (0.57) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL335609 0.81 THRB (0.49) ALDH1A1TP53HIF1ACYP3A4MAPK1

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-1421141-B1 POLYESTER COMPOSITIONS OF LOW RESIDUAL ALDEHYDE CONTENT CIBA SC HOLDING AG (CH) 2005-03-09 EP claimed
US-6255362-B1 HYDRATED, CROSSLINKED COPOLYACRYLATE CONTAINING SILOXANE, URETHANE AND ETHER GROUPS; CLEAR, DURABLE, FLEXIBLE SOFT CONTACT LENSES MENICON CO., LTD. (JP) 2001-07-03 US disclosed
EP-0937998-A2 Ocular lens material and process for producing the same Menicon Co., Ltd. (JP) 1999-08-25 EP disclosed