SCHEMBL6659142

SCHEMBL6659142

O=C(O)c1ccc(C(=O)c2ccc(CS)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 13/20 0.65
FOLH1 Q04609 3/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
ANPEP P15144 1/20 0.52
ENPEP Q07075 1/20 0.52

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
SCHEMBL315781 0.93 ALDH1A1 (0.60) SRD5A2FOLH1ALDH1A1TP53TSHR
SCHEMBL10645186 0.91 ALDH1A1 (0.58) SRD5A2FOLH1ALDH1A1TP53TSHR
SCHEMBL1200737 0.91 SRD5A2 (0.48) SRD5A2FOLH1ALDH1A1
SCHEMBL4541127 0.87 ALDH1A1 (0.61) SRD5A2FOLH1ALDH1A1
SCHEMBL15025047 0.83 SRD5A2 (0.41) SRD5A2FOLH1ALDH1A1
SCHEMBL8091787 0.81 IDO1 (0.67) SRD5A2ALDH1A1TSHR
SCHEMBL2407327 0.81 SRD5A2 (1.00) SRD5A2ALDH1A1TP53TSHR
SCHEMBL69729 0.81 SRD5A2 (1.00) SRD5A2ALDH1A1TP53TSHR
Benzoic Acid SCHEMBL28076089 0.80 FOLH1 (0.70) SRD5A2FOLH1TP53TSHRANPEP
SCHEMBL10654851 0.78 SRD5A2 (0.65) SRD5A2ALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888389-B1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SURMODICS INC (US) 2004-08-04 EP disclosed
EP-0888389-A4 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SURMODICS INC (US) 2001-03-14 EP disclosed
US-5942555-A Photoactivatable chain transfer agents and semi-telechelic photoactivatable polymers prepared therefrom SURMODICS, INC. (US) 1999-08-24 US disclosed
EP-0888389-A1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS SurModics, Inc. (US) 1999-01-07 EP disclosed
WO-1997034935-A1 PHOTOACTIVATABLE CHAIN TRANSFER AGENTS BSI CORPORATION (US) 1997-09-25 WO disclosed