SCHEMBL8673121

SCHEMBL8673121

C[C@@H](CCC(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
TRPA1 O75762 3/20 0.48
CYP1A2 P05177 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
TAAR1 Q96RJ0 2/20 0.48
FFAR1 O14842 2/20 0.47
CPA3 P15088 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.46
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45

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
SCHEMBL10042378 1.00 RIPK1 (0.52) RIPK1TRPA1CYP1A2ALDH1A1CYP2D6
SCHEMBL242853 1.00 RIPK1 (0.52) RIPK1TRPA1CYP1A2ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL5743278 0.98 RIPK1 (0.50) RIPK1TRPA1CYP1A2ALDH1A1CYP2D6
SCHEMBL1716157 0.88 CYSLTR2 (0.50) RIPK1TRPA1CYP1A2ALDH1A1CYP2D6
SCHEMBL8024424 0.86 TBXAS1 (0.53) RIPK1TRPA1CYP1A2ALDH1A1CYP2D6
SCHEMBL270135 0.86 RIPK1 (0.50) RIPK1TRPA1ALDH1A1TAAR1FFAR1
SCHEMBL6718333 0.86 RIPK1 (0.50) RIPK1TRPA1TAAR1FFAR1
SCHEMBL10042380 0.85 HDAC1 (0.54)
SCHEMBL10042375 0.85 HDAC1 (0.54)
SCHEMBL31462398 0.85 TBXAS1 (0.55) RIPK1ALDH1A1FFAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843941-A Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1998-12-01 US disclosed
EP-0763537-A2 Non-peptidyl Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1997-03-19 EP disclosed
US-5532359-A FUNGICIDES GENENTECH, INC. (US) 1996-07-02 US disclosed
EP-0698015-A1 PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE GENENTECH, INC. (US) 1996-02-28 EP disclosed
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO disclosed