SCHEMBL30701130

SCHEMBL30701130

O=C(O)c1ccccc1C(=O)Cc1cccc(C(=O)O)c1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
MRGPRX4 Q96LA9 6/20 0.45
FOLH1 Q04609 2/20 0.43
MAPK1 P28482 1/20 0.42
ALB P02768 1/20 0.42
CLCN2 P51788 1/20 0.41
HMGB1 P09429 1/20 0.40
AKR1C3 P42330 1/20 0.40
TSHR P16473 1/20 0.40
KAT6A Q92794 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4238088 0.78 KAT6A (0.54) ALDH1A1ALOX15MRGPRX4FOLH1ALB
SCHEMBL17294845 0.78 MRGPRX4 (0.49) ALDH1A1ALOX15MRGPRX4FOLH1ALB
SCHEMBL1401459 0.78 MRGPRX4 (0.49) ALDH1A1ALOX15MRGPRX4FOLH1ALB
SCHEMBL22700078 0.78 MRGPRX4 (0.44) ALDH1A1ALOX15MRGPRX4FOLH1ALB
SCHEMBL4216040 0.77 TSHR (0.57) ALDH1A1ALOX15MRGPRX4FOLH1ALB
SCHEMBL27912539 0.77 MRGPRX4 (0.46) ALDH1A1ALOX15MRGPRX4FOLH1ALB
SCHEMBL31455720 0.77 MRGPRX4 (0.46) MRGPRX4MAPK1ALBCLCN2KAT6A
SCHEMBL1646172 0.77 MRGPRX4 (0.48) ALDH1A1ALOX15MRGPRX4FOLH1ALB
Hydrochloric Acid SCHEMBL3416101 0.77 HMGB1 (0.51) ALDH1A1ALOX15MRGPRX4FOLH1ALB
SCHEMBL4726207 0.76 ALDH1A1 (0.51) ALDH1A1ALOX15MRGPRX4FOLH1HMGB1

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-117229219-A Preparation method of high-purity olapari 合肥创新医药技术有限公司 2023-12-15 CN disclosed