SCHEMBL9352148

SCHEMBL9352148

CC(=O)CC(CO)COCC(CO)CC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1893027 0.82 TDP1 (0.39) ALDH1A1TDP1
SCHEMBL14513819 0.82 ALDH1A1 (0.50) ALDH1A1TDP1
SCHEMBL9734057 0.82
SCHEMBL10807828 0.80 USP2 (0.54)
SCHEMBL5014524 0.73 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL2233813 0.73 TDP1 (0.42) ALDH1A1TDP1
SCHEMBL8840629 0.73 ALDH1A1 (0.59) ALDH1A1TDP1
SCHEMBL24759469 0.73
SCHEMBL27595330 0.71 ALDH1A1 (0.40) ALDH1A1TDP1
SCHEMBL13039797 0.70 ALDH1A1 (0.43) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375349-B1 Phosphinic acid substituted steroids as inhibitors of steroid 5alpha-reductase SMITHKLINE BEECHAM CORP (US) 1994-08-31 EP disclosed
EP-0375351-B1 Phosphonic acid substituted steroids as steroid 5alpha-reductase inhibitors SMITHKLINE BEECHAM CORP (US) 1994-08-31 EP disclosed
US-5026882-A Phosphinic acid substituted steroids as inhibitors of steroid 5α-reductase SMITHKLINE BEECHAM CORPORATION (US) 1991-06-25 US disclosed
US-4946834-A ACRYLATE ANALOGUES OF STEROIDAL SYNTHETIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1990-08-07 US disclosed
EP-0375351-A1 Phosphonic acid substituted steroids as steroid 5alpha-reductase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed
EP-0375349-A1 Phosphinic acid substituted steroids as inhibitors of steroid 5alpha-reductase SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed