SCHEMBL13865680

SCHEMBL13865680

O=C(O)CSCc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
ALDH1A1 P00352 2/20 0.55
GAA P10253 2/20 0.53
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
PPARD Q03181 2/20 0.51
CYP2C19 P33261 2/20 0.49
SRD5A2 P31213 2/20 0.48
POLB P06746 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
CYP1A2 P05177 3/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.45
NPC1 O15118 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL28780864 0.89 ALDH1A1 (0.58) HTTALDH1A1GAAPPARGPPARA
SCHEMBL499117 0.85 CYP2C19 (0.64) HTTALDH1A1GAACYP2C19POLB
SCHEMBL8334278 0.81 MMP12 (0.69) HTTALDH1A1GAACYP2C19POLB
SCHEMBL20670683 0.78 ALDH1A1 (0.54) HTTALDH1A1GAAPPARGPPARA
SCHEMBL13652636 0.78 ALDH1A1 (0.54) HTTALDH1A1GAAPPARGPPARA
SCHEMBL1270437 0.77 HTT (0.62) HTTALDH1A1GAACYP2C19POLB
SCHEMBL9177073 0.76 CYP1A2 (0.55) HTTALDH1A1GAACYP2C19CYP1A2
SCHEMBL17285629 0.76 HTT (0.61) HTTALDH1A1GAACYP2C19POLB
SCHEMBL12473135 0.76 MEN1 (0.72) HTTALDH1A1POLBCYP1A2LMNA
SCHEMBL9480273 0.76 HTT (0.61) HTTALDH1A1GAACYP2C19POLB

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
US-7538144-B2 Photoreactive polymers AGFA GRAPHICS, N.V. (BE) 2009-05-26 US disclosed
US-7538144-B2 Photoreactive polymers AGFA GRAPHICS, N.V. (BE) 2009-05-26 US disclosed
US-7507773-B2 Dendritic polymer core, e.g., hyperbranched polyglycidol, with at least one initiating functional group and at least one co-initiating functional group that is an aliphatic amine, an aromatic amine or a thiol; ink jet inks AGFA GRAPHICS N.V. (BE) 2009-03-24 US disclosed
US-7507773-B2 Dendritic polymer core, e.g., hyperbranched polyglycidol, with at least one initiating functional group and at least one co-initiating functional group that is an aliphatic amine, an aromatic amine or a thiol; ink jet inks AGFA GRAPHICS N.V. (BE) 2009-03-24 US disclosed