SCHEMBL31723160

SCHEMBL31723160

Cc1ccc2c(=O)c(C(=O)O)c(-c3ccco3)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
KDM4E B2RXH2 11/20 0.55
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
HPGD P15428 2/20 0.55
POLB P06746 5/20 0.45
PKM P14618 3/20 0.41
GAA P10253 3/20 0.40
USP2 O75604 2/20 0.40
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 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
SCHEMBL20917913 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL31723105 0.90 KDM4E (0.69) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL20919235 0.90 KDM4E (0.69) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL22284787 0.85 TTR (0.51) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL31723114 0.85 TTR (0.51) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL20918135 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL31723138 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL31723132 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL20918463 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL31723158 0.80 MAPT (0.68) ALDH1A1KDM4EMEN1KMT2ANPC1

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