SCHEMBL6037796

SCHEMBL6037796

O=C(O)c1ccccc1Sc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA4 P22748 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CYP1A2 P05177 1/20 0.53
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 1/20 0.52
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
RAB9A P51151 2/20 0.49
SIRT1 Q96EB6 1/20 0.48

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
SCHEMBL4440972 0.87 POLB (0.53) POLBCA12CA1CA2CA4
SCHEMBL29888792 0.87 POLB (0.74) POLBCA12CA1CA2CA4
SCHEMBL1482567 0.87 POLB (0.74) POLBCA12CA1CA2CA4
SCHEMBL9716024 0.85 ALDH1A1 (0.57) POLBCA12CA1CA2CA4
SCHEMBL9460748 0.85 POLB (0.71) POLBCA12CA1CA2CA4
SCHEMBL10814347 0.84 POLB (0.50) POLBCA12CA1CA2CA4
SCHEMBL24723588 0.81 ALDH1A1 (0.56) POLBCA12CA1CA2CA4
SCHEMBL231042 0.81 SIRT1 (0.71) POLBCA12CA1CA2CA4
SCHEMBL9150206 0.81 HTT (0.54) POLBCA12CA1CA2CA4
SCHEMBL6164170 0.81 POLB (0.50) POLBCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 WO disclosed