SCHEMBL29093680

SCHEMBL29093680

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(Cl)Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HPGD P15428 2/20 0.65
FAAH O00519 1/20 0.65
MAPT P10636 1/20 0.65
CNR1 P21554 1/20 0.65
CNR2 P34972 1/20 0.65
F7 P08709 4/20 0.59
F3 P13726 4/20 0.59
KDM4E B2RXH2 3/20 0.59
PPARG P37231 3/20 0.59
PPARD Q03181 3/20 0.59
PPARA Q07869 3/20 0.59
FABP3 P05413 3/20 0.59
FFAR1 O14842 3/20 0.59
PTGS1 P23219 2/20 0.59
DUSP3 P51452 1/20 0.59
PTPN7 P35236 1/20 0.59
LMNA P02545 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP19A1 P11511 1/20 0.59

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
SCHEMBL27909979 0.95 PRKCA (0.61) ALDH1A1HPGDFAAHMAPTCNR1
SCHEMBL6889075 0.88 ALDH1A1 (0.65) ALDH1A1HPGDFAAHMAPTCNR1
SCHEMBL6889074 0.88 ALDH1A1 (0.65) ALDH1A1HPGDFAAHMAPTCNR1
SCHEMBL27864593 0.87 ALDH1A1 (0.60) ALDH1A1HPGDFAAHMAPTCNR1
SCHEMBL27860052 0.86 LMNA (0.72) ALDH1A1HPGDFAAHMAPTCNR1
SCHEMBL27450484 0.86 LMNA (0.72) ALDH1A1HPGDFAAHMAPTCNR1
SCHEMBL24763153 0.86 ALDH1A1 (0.67) ALDH1A1HPGDFAAHMAPTCNR1
SCHEMBL43113 0.86 LMNA (0.72) ALDH1A1HPGDFAAHMAPTCNR1
SCHEMBL8346746 0.85 LMNA (0.68) ALDH1A1MAPTLMNATSHRPRKCE
SCHEMBL8769110 0.85 LMNA (0.68) ALDH1A1MAPTLMNATSHRPRKCE

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-116941834-A Aromatic health care bra and preparation method thereof 南通大学 2023-10-27 CN disclosed