SCHEMBL30946262

SCHEMBL30946262

O=c1ccc2c(I)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
PDE3B Q13370 11/20 0.43
PDE3A Q14432 11/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
NOS1 P29475 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 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
SCHEMBL1438410 1.00 CA12 (0.47) CA12CA1CA3CA4CA6
SCHEMBL10285341 0.77 CA12 (0.48) CA12CA1CA3CA4CA6
SCHEMBL332886 0.75 TDP1 (0.50) CA12CA1CA3CA4CA6
SCHEMBL1082903 0.75 DAO (0.53) CA12CA1CA3CA4CA6
SCHEMBL30946271 0.75 DAO (0.53) CA12CA1CA3CA4CA6
SCHEMBL709815 0.75 PDE3B (0.52) CA12CA1CA3CA4CA6
SCHEMBL3874061 0.75 KDM4E (0.60) CA12CA1CA3CA4CA6
SCHEMBL433885 0.75 TNKS2 (0.62) CA12CA1CA3CA4CA6
SCHEMBL19751533 0.75 CYP1A2 (0.62) CA12CA9CYP1A2CYP2C19TNKS2
SCHEMBL29862541 0.75 KDM4E (0.60) CA12CA1CA3CA4CA6

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
EP-4583874-A1 MULTITARGET NUCLEAR RECEPTOR LIGANDS BASED ON 2-(4-(QUINOLIN-2-YLOXY)PHENOXY)PROPANOIC ACID AND 2-(4-(QUINOXALIN-2-YLOXY)PHENOXY)PROPANOIC ACID FOR THE TREATMENT OF METABOLIC AND LIVER DISEASES CHARLES UNIVERSITY, FACULTY OF PHARMACY IN HRADEC KRALOVE (CZ) 2025-07-16 EP disclosed
WO-2024132001-A1 MULTITARGET NUCLEAR RECEPTOR LIGANDS BASED ON 2-(4-(QUINOLIN-2-YLOXY)PHENOXY)PROPANOIC ACID AND 2-(4-(QUINOXALIN-2-YLOXY)PHENOXY)PROPANOIC ACID FOR THE TREATMENT OF METABOLIC AND LIVER DISEASES CHARLES UNIVERSITY, FACULTY OF PHARMACY IN HRADEC KRALOVE (CZ) 2024-06-27 WO disclosed