SCHEMBL30745400

SCHEMBL30745400

O=C(O)Cc1ccc(O)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 6/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA2 P00918 1/20 0.47
AKR1B1 P15121 2/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
GRB2 P62993 1/20 0.46
EGFR P00533 2/20 0.45
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8620374 1.00 CAMK2A (0.51) CAMK2AALDH1A1LMNAGLACYP2C9
SCHEMBL1644783 0.84 EGFR (0.49) CAMK2AALDH1A1LMNAGLACYP2C9
SCHEMBL10479066 0.82 PTGDR2 (0.42) ALDH1A1LMNAGLACYP2C9HPGD
SCHEMBL29710650 0.82 PTGDR2 (0.42) ALDH1A1LMNAGLACYP2C9HPGD
SCHEMBL156238 0.81 TYR (0.60) CAMK2AALDH1A1LMNAGLACYP2C9
SCHEMBL29419312 0.81 TYR (0.60) CAMK2AALDH1A1LMNAGLACYP2C9
SCHEMBL27743914 0.81 POLB (0.50) NPSR1POLB
SCHEMBL4047837 0.78 KEAP1 (0.50) CAMK2ACYP2C9AKR1B1
SCHEMBL909444 0.78 PKM (0.53) TSHRAKR1B1
SCHEMBL2729900 0.78 HPGD (0.42) CAMK2AALDH1A1LMNACYP2C9HPGD

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-117545748-A Benzimidazolyl GLP-1GPCR receptor agonists, pharmaceutical compositions comprising the same, and methods of use thereof 卡莫特医疗有限公司 2024-02-09 CN disclosed