SCHEMBL19631279

SCHEMBL19631279

Cc1ccc(S(=O)OCCOCCOCCOCCN)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TAAR1 Q96RJ0 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL19825307 0.91 RECQL (0.50) RECQLALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL13274138 0.83 RECQL (0.48) RECQLALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL19687601 0.81 RECQL (0.42) RECQLALDH1A1CYP3A4CYP2C9
SCHEMBL1847539 0.79 RECQL (0.49) RECQLALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL16476083 0.78 ABCG2 (0.41) RECQLALDH1A1CYP3A4CYP2C9
SCHEMBL19825281 0.78 RECQL (0.40) RECQLALDH1A1CYP3A4CYP2C9
SCHEMBL18535350 0.78 RECQL (0.51) RECQLALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL19494991 0.78 RECQL (0.42) RECQLALDH1A1CYP3A4CYP2C9
SCHEMBL24799971 0.77 ALDH1A1 (0.41) RECQLALDH1A1CYP3A4CYP2C9CYP1A2
SCHEMBL6743766 0.77 RECQL (0.50) RECQLALDH1A1CYP3A4CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458111-B1 PET-IMAGING IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-03-03 EP disclosed
EP-3702367-A1 NOVEL PD-L1 BINDING POLYPEPTIDES FOR IMAGING Bristol-Myers Squibb Company (US) 2020-09-02 EP disclosed
WO-2017210302-A1 PET IMAGING WITH PD-L1 BINDING POLYPEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-07 WO disclosed
WO-2017201111-A1 PET-IMAGING IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-23 WO disclosed