SCHEMBL6661068

SCHEMBL6661068

O=C(NCCS)c1cc(OCc2ccc(C(=O)c3ccccc3)cc2)c(OCc2ccc(C(=O)c3ccccc3)cc2)c(OCc2ccc(C(=O)c3ccccc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
BRD4 O60885 5/20 0.47
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 1/20 0.47
SLC6A5 Q9Y345 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MTNR1B P49286 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGES O14684 1/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SRD5A2 P31213 1/20 0.43

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
SCHEMBL3586824 0.86 SPHK2 (0.58) ATMSPHK2SPHK1SMN1; SMN2ALDH1A1
SCHEMBL6659601 0.81 ATM (0.61) ATMSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL6664749 0.79 LMNA (0.63) ATMSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL6657326 0.78 HDAC2 (0.65) SMN1; SMN2ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL17061417 0.77 BRD4 (0.56) BRD4SLC6A5SMN1; SMN2MTNR1BKMT2A
SCHEMBL28236202 0.77 KDM4E (0.53) ATMSMN1; SMN2SMPD1HDAC1HDAC8
SCHEMBL16015328 0.74 MAPT (0.57) SLC6A5SMN1; SMN2ALDH1A1PTGESSMPD1
SCHEMBL3605042 0.73 HDAC3 (0.46) SPHK2SPHK1SMN1; SMN2ALDH1A1HDAC1
SCHEMBL11757864 0.72 KMT2A (0.67) BRD4SMN1; SMN2MTNR1BSMPD1HDAC1
SCHEMBL18644999 0.72 SGMS2 (0.72) ALDH1A1L3MBTL1KMT2A

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