SCHEMBL8038304

SCHEMBL8038304

CC(=O)N(c1ccc(Oc2ccc(OC3CCCCCCCCCCC3)cc2)cc1)c1ccccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.40
▸ MAOB P27338 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ ABCC1 P33527 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ EPHX1 P07099 1/20 0.36

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
SCHEMBL8039708 1.00 PTPN1 (0.40) PTPN1MAOBSTAT3PTGESALOX5
SCHEMBL6405116 1.00 PTPN1 (0.40) PTPN1MAOBSTAT3PTGESALOX5
SCHEMBL8039546 1.00 PTPN1 (0.40) PTPN1MAOBSTAT3PTGESALOX5
SCHEMBL8039689 0.99 PTPN1 (0.38) PTPN1MAOBSTAT3PTGESALOX5
SCHEMBL8041172 0.90 TSPO (0.40) PTPN1MAOBSTAT3ABCC1
SCHEMBL6406664 0.89 TSPO (0.39) ALDH1A1LMNAKMT2ATSHR
SCHEMBL8037926 0.89 TSPO (0.39) ALDH1A1LMNAKMT2ATSHR
SCHEMBL8038293 0.89 TSPO (0.39) ALDH1A1LMNAKMT2ATSHR
SCHEMBL8037891 0.88 TSPO (0.40) ALDH1A1LMNAPARP10KMT2ATSHR
SCHEMBL8027781 0.86 ABCC1 (0.40) MAOBSTAT3PTGESALOX5EPHX2

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
EP-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 — — EP disclosed
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