SCHEMBL11585603

SCHEMBL11585603

N#Cc1cccc(OC(=O)c2ccc(S(=O)(=O)O)cc2C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PRSS1 P07477 1/20 0.44
▸ ACR P10323 1/20 0.44
▸ XDH P47989 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.42
▸ MGLL Q99685 12/20 0.42
▸ P2RY2 P41231 1/20 0.39
▸ GPR17 Q13304 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ EPAS1 Q99814 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11585100 0.83 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL11585598 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10XDH
SCHEMBL11585131 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10EPAS1
SCHEMBL11583826 0.81 MAPT (0.47) KDM4EALDH1A1HPGDHSD17B10PRSS1
SCHEMBL11583353 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL11584035 0.81 LMNA (0.47) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL11583633 0.80 S1PR3 (0.44) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL11585606 0.79 P2RY2 (0.53) XDHSLC22A12MGLLP2RY2GPR17
SCHEMBL11583279 0.79 F2 (0.51) KDM4EALDH1A1HPGDHSD17B10P2RY2
SCHEMBL11583837 0.79 S1PR3 (0.46) KDM4EALDH1A1HPGDHSD17B10TDP1

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
US-4101551-A WATER INSOLUBILITY, AFFINITY FOR POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 — — US disclosed
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