SCHEMBL26048812

SCHEMBL26048812

CC[C@@H](C)c1cccc(CCl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.38
PNMT P11086 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
TRPA1 O75762 1/20 0.33
TAAR1 Q96RJ0 3/20 0.32
SLC6A2 P23975 2/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL18733842 0.90 HDAC4 (0.45) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL24015316 0.84 HDAC4 (0.53) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL21984797 0.84 HDAC4 (0.36) HDAC4HDAC2HDAC8TSHRPNMT
SCHEMBL3115675 0.82 HDAC4 (0.42) HDAC4HDAC2HDAC8ALDH1A1HPGD
SCHEMBL1006801 0.81 HDAC4 (0.62) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL9963705 0.81 HDAC4 (0.54) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL14298919 0.81 HDAC4 (0.50) HDAC4HDAC2HDAC8USP2ALDH1A1
SCHEMBL9506520 0.80 TSHR (0.40) TSHRPNMTPGK1PGK2TAAR1
SCHEMBL26100259 0.78 PNMT (0.44) TSHRPNMTTAAR1SLC6A2MAOA
SCHEMBL27999918 0.78 TSHR (0.39) TSHRPNMTPGK1PGK2TRPA1

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-3650245-B1 SULPHUR CROSS-LINKABLE RUBBER MIXTURE, VULCANIZATE AND VEHICLE TYRE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-08-30 EP disclosed