SCHEMBL29923705

SCHEMBL29923705

Cc1cc(Cl)c(Cl)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 3/20 0.46
SORT1 Q99523 4/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 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
SCHEMBL6728055 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL8464010 0.98 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL13171240 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL18432608 0.88 KDM4E (0.44) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL27496311 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL28621044 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1MAPTPKM
Hydrochloric Acid SCHEMBL7705494 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL18703608 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL8340285 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL10915062 0.83 POLB (0.47) ALDH1A1KDM4EMEN1MAPTPKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028596-B Method for preparing topramezone intermediate 帕潘纳(北京)科技有限公司 2024-06-07 CN disclosed
CN-115028596-A Process for preparing topramezone intermediates 帕潘纳(北京)科技有限公司 2022-09-09 CN disclosed