SCHEMBL28220181

SCHEMBL28220181

CCCCCCCC[PH](CCCCCCCC)(CCCCCCCC)OC(=O)c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.50
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 1/20 0.42
ESR1 P03372 3/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
RARB P10826 3/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL28641585 0.83 CES2 (0.49) TP53TSHRALDH1A1
SCHEMBL27394077 0.81 PTPN11 (0.42) TP53TSHRPLA2G4BRARBALDH1A1
SCHEMBL28807118 0.79 PPARA (0.37) PLA2G2ATP53TSHRESR1ALDH1A1
Heptane SCHEMBL29220036 0.77 PLA2G2A (0.63) PLA2G2ATP53TSHRPLA2G4BRARB
Hexane SCHEMBL29263834 0.77 PLA2G2A (0.62) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL9440879 0.77 PLA2G2A (0.46) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL9440583 0.77 PLA2G2A (0.46) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL27559767 0.76 ALDH1A1 (0.57) TP53TSHRALDH1A1
SCHEMBL29263833 0.76 ESR1 (0.69) PLA2G2ATP53TSHRESR1AKR1C4
SCHEMBL22289842 0.76 ESR1 (0.69) PLA2G2ATP53TSHRESR1AKR1C4

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
CN-108018552-A The local electroplating method of vehicle resin component and the vehicle resin component using its plating 现代自动车株式会社 2018-05-11 CN claimed
CN-108018552-A The local electroplating method of vehicle resin component and the vehicle resin component using its plating 现代自动车株式会社 2018-05-11 CN disclosed