SCHEMBL31723107

SCHEMBL31723107

Cc1cccc2c(=O)c(C(=O)O)c(-c3ccco3)oc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HTT P42858 2/20 0.42
POLB P06746 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
PRNP P04156 1/20 0.38
S1PR4 O95977 1/20 0.38
PKM P14618 3/20 0.37
TTR P02766 1/20 0.37
KEAP1 Q14145 1/20 0.37
GAA P10253 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL20918190 1.00 MCL1 (0.46) MCL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL20918152 0.84 MAOA (0.47) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL31723110 0.84 MAOA (0.47) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL14266219 0.81 ALDH1A1 (0.58) MCL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL20918463 0.79 ALDH1A1 (0.62) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL31723132 0.79 ALDH1A1 (0.62) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL8878045 0.77 LMNA (0.45) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL31723147 0.77 KDM4E (0.56) MCL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL20918264 0.77 KDM4E (0.56) MCL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL28824884 0.77 MEN1 (0.47) MCL1MEN1KMT2AALDH1A1KDM4E

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