SCHEMBL11752170

SCHEMBL11752170

O=C(O)C(Oc1ccc(Oc2ccc(N3CCCCC3)cc2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
AKR1C3 P42330 1/20 0.46
HTT P42858 1/20 0.46
PPARG P37231 7/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
FFAR1 O14842 1/20 0.43
PPARA Q07869 4/20 0.42
CNR2 P34972 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 1/20 0.41
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 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
SCHEMBL11749780 0.96 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAHPGDAKR1C3
SCHEMBL11754433 0.93 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAHPGDAKR1C3
SCHEMBL11746093 0.89 ALDH1A1 (0.47) LTA4HSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL11750531 0.86 NPC1 (0.44) SMN1; SMN2ALDH1A1LMNAPPARGMAPT
SCHEMBL11752197 0.84 MAPT (0.50) SMN1; SMN2ALDH1A1LMNAHPGDMAPT
SCHEMBL11566109 0.84 PPARG (0.57) PPARGPPARAKMT2A
SCHEMBL11748490 0.82 NPC1 (0.46) SMN1; SMN2ALDH1A1LMNAPPARGMAPT
SCHEMBL11727460 0.82 ALDH1A1 (0.52) LTA4HSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL11752894 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAHPGDMAPT
SCHEMBL11751032 0.81 MAPT (0.44) LTA4HSMN1; SMN2ALDH1A1LMNAHPGD

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
US-4053626-A CHOLESTEROL LEVEL-LOWERING PHENOXYACETIC ACIDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-10-11 US disclosed
US-3992386-A 4(Quinolyl)phenoxy alkanoic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-11-16 US disclosed