SCHEMBL11598248

SCHEMBL11598248

CC(Oc1ccc(C2CCCCC2)cc1)(C(=O)O)c1ccc(OCCOc2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.47
▸ PPARG P37231 6/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PPARD Q03181 3/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39

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
SCHEMBL11598169 0.97 PPARA (0.51) PPARAPPARGMEN1KMT2AKDM4E
SCHEMBL11595598 0.86 PPARA (0.55) PPARAPPARGMEN1KMT2AKDM4E
SCHEMBL11596113 0.82 PPARA (0.51) PPARAPPARGMEN1KMT2AKDM4E
SCHEMBL11595888 0.82 PPARA (0.54) PPARAPPARGMEN1KMT2AKDM4E
SCHEMBL11596810 0.80 PPARA (0.51) PPARAPPARGMEN1KMT2AALDH1A1
SCHEMBL11597072 0.79 PPARA (0.50) PPARAPPARGMEN1KMT2AKDM4E
SCHEMBL11596932 0.77 PPARA (0.52) PPARAPPARGMEN1KMT2AALDH1A1
SCHEMBL11598113 0.76 PPARA (0.55) PPARAPPARGMEN1KMT2AKDM4E
SCHEMBL11596999 0.76 SMN1; SMN2 (0.57) PPARAPPARGMEN1KMT2AKDM4E
SCHEMBL11595796 0.75 PPARA (0.51) PPARAPPARGMEN1KMT2AKDM4E

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
US-4125732-A HYPOLIPIDEMIC AMERICAN CYANAMID COMPANY (US) 1978-11-14 — — US disclosed
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