SCHEMBL28443237

SCHEMBL28443237

Cc1ccccc1CC(Cl)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
ACHE P22303 2/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.38
CYP2A13 Q16696 1/20 0.37
SSTR4 P31391 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CTBP2 P56545 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
POLB P06746 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
SCHEMBL3167835 0.78 RIPK1 (0.48) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL451432 0.77 TAAR1 (0.43) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL1821553 0.76 TAAR1 (0.46) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL24848861 0.76 TAAR1 (0.42) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL6708534 0.75 HSPA5 (0.40) TAAR1TSHR
SCHEMBL808983 0.74 TAAR1 (0.45) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL13722854 0.74 TAAR1 (0.45) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL15976426 0.74 TAAR1 (0.45) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL19085950 0.74 TAAR1 (0.45) TAAR1ACHETSHRCHRM2PTGS1
SCHEMBL3638610 0.74 TAAR1 (0.52) TAAR1ACHETSHRCHRM2PTGS1

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
CN-107417509-B Preparation method of phenylacetic acid compound 上海康鹏科技股份有限公司 2020-08-25 CN disclosed