SCHEMBL19732190

SCHEMBL19732190

CCCCC/C=C\CC1C(=O)C=CC1C/C=C\CCCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ LMNA P02545 3/20 0.64
▸ HPGD P15428 2/20 0.64
▸ POLB P06746 2/20 0.64
▸ PTPN7 P35236 2/20 0.64
▸ NR4A1 P22736 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ MAPT P10636 5/20 0.63
▸ UCHL3 P15374 1/20 0.63
▸ PPARG P37231 4/20 0.58
▸ RECQL P46063 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ MIF P14174 1/20 0.58
▸ GALR3 O60755 1/20 0.57
▸ PPARD Q03181 2/20 0.55
▸ PPARA Q07869 2/20 0.55

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
SCHEMBL2948519 0.90 TRPA1 (0.61) TRPA1MEN1ALDH1A1KMT2ALMNA
SCHEMBL2948516 0.90 TRPA1 (0.61) TRPA1MEN1ALDH1A1KMT2ALMNA
SCHEMBL30209147 0.87 TRPA1 (0.59) TRPA1MEN1ALDH1A1KMT2ALMNA
SCHEMBL21631706 0.87 TRPA1 (0.59) TRPA1MEN1ALDH1A1KMT2ALMNA
SCHEMBL8901857 0.85 MAPT (0.77) TRPA1MEN1ALDH1A1KMT2ALMNA
SCHEMBL8901863 0.85 MAPT (0.77) TRPA1MEN1ALDH1A1KMT2ALMNA
SCHEMBL8903380 0.84 TRPA1 (0.77) TRPA1MEN1ALDH1A1KMT2ALMNA
SCHEMBL11614322 0.84 TRPA1 (0.77) TRPA1MEN1ALDH1A1KMT2ALMNA
SCHEMBL8903382 0.84 TRPA1 (0.77) TRPA1MEN1ALDH1A1KMT2ALMNA
SCHEMBL20795023 0.83 CNR1 (0.61) MEN1ALDH1A1KMT2AHPGDMAPT

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
WO-2017218815-A1 MOTOR-ASSOCIATED NEURODEGENERATIVE DISEASE AND METHODS OF TREATMENT Verge Analytics, Inc. (US) 2017-12-21 — — WO disclosed
Send feedback