SCHEMBL9645155

SCHEMBL9645155

C=Cc1ccc(C)c(O)c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
NT5E P21589 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
ELANE P08246 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL6685387 0.84 TDP1 (0.37) TDP1ALDH1A1TP53GLACYP3A4
SCHEMBL18289495 0.80 TDP1 (0.46) TDP1ALDH1A1TP53NT5ESMN1; SMN2
SCHEMBL1808650 0.78 ALDH1A1 (0.40) TDP1ALDH1A1TP53GLACYP3A4
SCHEMBL167674 0.76 SLC9A1 (0.37) TDP1ALDH1A1TP53GLACYP3A4
SCHEMBL28115708 0.75 SLC9A1 (0.36) TDP1ALDH1A1TP53GLACYP3A4
SCHEMBL11764661 0.75 BRD4 (0.41) TDP1ALDH1A1TP53GAAHPGD
SCHEMBL19194608 0.75 TRPA1 (0.38) TDP1ALDH1A1TP53GLACYP3A4
SCHEMBL18074247 0.75 POLB (0.41) GLAGAAPTGS1PTGS2ELANE
SCHEMBL3199219 0.74 TDP1 (0.38) TDP1
SCHEMBL1355486 0.72 TDP1 (0.43) TDP1ALDH1A1SMN1; SMN2HSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539659-B1 ION EXCHANGE CHROMATOGRAPHY COLUMN, METHOD, AND SYSTEM THEREOF DIONEX CORP (US) 2022-12-07 EP claimed
EP-0293740-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED LACTAMS BASF Aktiengesellschaft (DE) 1992-12-02 EP disclosed
EP-0293740-A2 Process for the preparation of substituted lactams BASF Aktiengesellschaft (DE) 1988-12-07 EP disclosed