SCHEMBL28588448

SCHEMBL28588448

CCCCC/C=C\C/C=C\CCCCCCCCOc1cc(C(=O)O)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ PLA2G2A P14555 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PLA2G4B P0C869 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ F7 P08709 3/20 0.47
▸ F3 P13726 3/20 0.47
▸ PPARG P37231 2/20 0.47
▸ PPARD Q03181 2/20 0.47
▸ PPARA Q07869 2/20 0.47
▸ DUSP3 P51452 1/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ FABP3 P05413 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ FABP4 P15090 1/20 0.47
▸ HPGD P15428 1/20 0.47

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
SCHEMBL16154810 0.88 PLA2G2A (0.55) TSHRPLA2G2ATP53ALDH1A1F7
SCHEMBL17685721 0.88 PLA2G2A (0.55) TSHRPLA2G2ATP53ALDH1A1F7
SCHEMBL17412498 0.88 PLA2G2A (0.55) TSHRPLA2G2ATP53PLA2G4BALDH1A1
SCHEMBL31729821 0.85 TP53 (0.55) TSHRPLA2G2ATP53PLA2G4BRARB
SCHEMBL25049489 0.81 KDM4C (0.57) TSHRPLA2G2ATP53PLA2G4BALDH1A1
SCHEMBL16154809 0.80 ESR1 (0.52) TSHRALDH1A1F7F3PPARG
SCHEMBL21698664 0.80 ESR1 (0.52) TSHRALDH1A1F7F3PPARG
SCHEMBL17685812 0.80 ESR1 (0.52) TSHRALDH1A1F7F3PPARG
SCHEMBL8208816 0.79 TP53 (0.78) TSHRPLA2G2ATP53PLA2G4BRARB
SCHEMBL8208895 0.79 TP53 (0.78) TSHRPLA2G2ATP53PLA2G4BRARB

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-107879960-B Lipids and lipid compositions for delivery of active ingredients 诺华股份有限公司 2021-06-22 — — CN disclosed
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