SCHEMBL30280757

SCHEMBL30280757

CCc1cccc(C(=O)OC)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
KAT6A Q92794 2/20 0.50
HTT P42858 2/20 0.49
TSHR P16473 2/20 0.47
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HSD17B10 Q99714 2/20 0.46
CFTR P13569 1/20 0.46
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL24529118 1.00 MRGPRX4 (0.51) MRGPRX4ALDH1A1LMNAKAT6AHTT
SCHEMBL4443811 0.88 MRGPRX4 (0.50) MRGPRX4ALDH1A1LMNAHTTTSHR
SCHEMBL2619294 0.88 MRGPRX4 (0.50) MRGPRX4ALDH1A1LMNAHTTTSHR
SCHEMBL30469438 0.86 ALDH1A1 (0.51) MRGPRX4ALDH1A1LMNAHTTTSHR
SCHEMBL1052962 0.86 ALDH1A1 (0.51) MRGPRX4ALDH1A1LMNAHTTTSHR
SCHEMBL1401560 0.85 TSHR (0.57) ALDH1A1LMNAHTTTSHRSLC6A4
SCHEMBL22702311 0.84 TSHR (0.61) MRGPRX4ALDH1A1LMNAKAT6AHTT
SCHEMBL23169118 0.84 CA12 (0.42) ALDH1A1LMNAHTTTSHRSLC6A4
SCHEMBL4447482 0.83 ALDH1A1 (0.49) MRGPRX4ALDH1A1LMNATSHRSLC6A4
SCHEMBL27873404 0.83 ALDH1A1 (0.49) MRGPRX4ALDH1A1LMNAHTTTSHR

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-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed