SCHEMBL31662735

SCHEMBL31662735

CC(C(N)=O)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.56
GABRB2 P47870 2/20 0.56
TSHR P16473 3/20 0.50
CXCL8 P10145 1/20 0.49
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
PTGS1 P23219 2/20 0.41
PTGS2 P35354 1/20 0.41
POLB P06746 2/20 0.41
ANO1 Q5XXA6 1/20 0.40
EPHX1 P07099 2/20 0.39
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL860001 1.00 GABRA1 (0.56) GABRA1GABRB2TSHRCXCL8HPGD
Benzoic Acid SCHEMBL28540152 0.89 TSHR (0.47) GABRA1GABRB2TSHRCXCL8HPGD
SCHEMBL9321170 0.87 CXCL8 (0.54) GABRA1GABRB2TSHRCXCL8HPGD
Benzoic Acid SCHEMBL28875748 0.85 CA2 (0.47) GABRA1GABRB2TSHRCXCL8HPGD
SCHEMBL10483833 0.84 CXCL8 (0.46) GABRA1GABRB2TSHRCXCL8HPGD
Anthranilic Acid SCHEMBL28537842 0.84 ALDH1A1 (0.44) GABRA1GABRB2TSHRCXCL8HPGD
SCHEMBL11751568 0.83 GABRA1 (0.60) GABRA1GABRB2TSHRHPGDMAPT
SCHEMBL153695 0.81 PTGS2 (0.59) GABRA1GABRB2TSHRCXCL8HPGD
SCHEMBL29139384 0.81 GABRA1 (0.58) GABRA1GABRB2TSHRCXCL8HPGD
SCHEMBL250282 0.79 CXCL8 (0.49) GABRA1GABRB2CXCL8MAPTKDM4E

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
WO-2025151874-A1 INDOLE ALKALOID ANTIPLASMODIAL AGENTS AND PREPARATION THEREOF UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2025-07-17 WO disclosed