SCHEMBL31723114

SCHEMBL31723114

O=C(O)c1c(-c2ccco2)oc2cc(Cl)ccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.51
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 3/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
HTT P42858 2/20 0.44
MCL1 Q07820 2/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PKM P14618 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL22284787 1.00 TTR (0.51) TTRALDH1A1KDM4EHPGDTSHR
SCHEMBL28430626 0.90 ALDH1A1 (0.55) TTRALDH1A1KDM4EHPGDTSHR
SCHEMBL20917913 0.85 ALDH1A1 (0.55) TTRALDH1A1KDM4EHPGDTSHR
SCHEMBL31723160 0.85 ALDH1A1 (0.55) TTRALDH1A1KDM4EHPGDTSHR
SCHEMBL31723132 0.83 ALDH1A1 (0.62) TTRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20918463 0.83 ALDH1A1 (0.62) TTRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20918135 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL31723138 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL31723143 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDTSHRHSD17B10
SCHEMBL20919235 0.78 KDM4E (0.69) ALDH1A1KDM4EHPGDTSHRHSD17B10

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