SCHEMBL4610288

SCHEMBL4610288

CCC(C=C(C)C(=O)O)=C(C=CC(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.34
TSHR P16473 3/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL10449606 0.81
SCHEMBL8433038 0.76 GLA (0.49) HCAR2ALDH1A1RECQLTDP1CYP2C9
SCHEMBL13236543 0.76 CYP2C9 (0.35) ALDH1A1TDP1CYP2C9
SCHEMBL2152286 0.74 TSHR (0.41) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL30781489 0.73 TSHR (0.50) HCAR2TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL2408880 0.73 TSHR (0.50) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL2408876 0.73 TSHR (0.50) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL28583382 0.72 CYP2C9 (0.33) ALDH1A1TDP1CYP2C9
SCHEMBL7569921 0.70
SCHEMBL11740585 0.70 TSHR (0.41) HCAR2TSHRTP53EGLN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948773-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS Henkel AG & Co. KGaA (DE) 2008-07-30 EP disclosed
EP-1922398-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-21 EP disclosed
WO-2007054177-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS HENKEL AG & CO. KGAA (DE) 2007-05-18 WO disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed