SCHEMBL31723123

SCHEMBL31723123

Cc1ccc2oc(-c3cccs3)c(C(=O)O)c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.67
KDM4E B2RXH2 9/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
ALDH1A1 P00352 6/20 0.67
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
HTT P42858 3/20 0.67
HPGD P15428 3/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
GAA P10253 3/20 0.52
POLB P06746 3/20 0.52
USP2 O75604 2/20 0.52
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PKM P14618 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
SCHEMBL20919340 1.00 MAPT (0.67) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL28429289 0.90 KDM4E (0.54) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL28426415 0.85 KDM4E (0.72) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL31723127 0.85 KMT2A (0.52) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL20919349 0.85 KDM4E (0.51) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL31723155 0.85 KDM4E (0.51) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL20923496 0.83 KMT2A (0.68) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL31723118 0.83 KMT2A (0.68) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL20918213 0.79 MAPT (0.85) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL31723182 0.79 MAPT (0.85) MAPTKDM4ESMN1; SMN2ALDH1A1MEN1

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-3699174-B1 COMPOSITION FOR PREVENTING OR TREATING TNF-RELATED DISEASES, CONTAINING DERIVATIVE AS ACTIVE INGREDIENT, AND METHOD FOR INHIBITING TNF ACTIVITY BY USING SAME ILAB (KR) 2025-11-12 EP claimed