SCHEMBL7862032

SCHEMBL7862032

CC(C)(CN)c1cccc(O)c1C(C)(C)CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
CA2 P00918 2/20 0.39
TRPA1 O75762 2/20 0.34
ATM Q13315 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ADAMTS4 O75173 1/20 0.31
EGFR P00533 1/20 0.31
CA1 P00915 1/20 0.31
LMNA P02545 1/20 0.31
FYN P06241 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2367227 0.82 TAAR1 (0.38) ALDH1A1TDP1TSHRTAAR1EGFR
SCHEMBL144360 0.82 ALDH1A1 (0.58) ALDH1A1TDP1TSHRTAAR1CA2
SCHEMBL7101555 0.79 CA2 (0.56) ALDH1A1TDP1TSHRTAAR1CA2
SCHEMBL1159985 0.78 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL31438668 0.78 ALDH1A1 (0.43) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL7597677 0.77 SHBG (0.42) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL10926827 0.76 ALDH1A1 (0.41) ALDH1A1TDP1TSHRCA2TRPA1
SCHEMBL10978703 0.74 TAAR1 (0.61) ALDH1A1TDP1TSHRTAAR1CA2
SCHEMBL10342309 0.73 TAAR1 (0.48) ALDH1A1TDP1TSHRTAAR1CA2
SCHEMBL22448853 0.72 TAAR1 (0.39) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021039648-A1 COMPOSITION 株式会社日本触媒 2021-03-04 WO disclosed
EP-1151853-A1 EASILY DELAMINATABLE LAMINATE AND RESIN COMPOSITION FOR USE THEREIN Sumitomo Chemical Company, Limited (JP) 2001-11-07 EP disclosed
EP-0003479-B1 HARDENING AGENTS AND PROCESS FOR PREPARING EPOXY RESIN POLYADDUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1981-09-16 EP disclosed