SCHEMBL5056709

SCHEMBL5056709

CC/C=C\CCCC(=O)O.CC/C=C\CCOc1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 6/20 0.52
F7 P08709 3/20 0.52
CYP19A1 P11511 3/20 0.52
F3 P13726 3/20 0.52
PTGS1 P23219 2/20 0.52
PPARG P37231 2/20 0.52
PPARD Q03181 2/20 0.52
PPARA Q07869 2/20 0.52
OXER1 Q8TDS5 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
RXRA P19793 1/20 0.52
MEN1 O00255 4/20 0.50
HIF1A Q16665 1/20 0.50
PTK2B Q14289 1/20 0.50
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
NR1I2 O75469 2/20 0.47

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
SCHEMBL633865 0.91 ALDH1A1 (0.59) ALDH1A1KMT2APTGS1MEN1PTK2B
SCHEMBL300776 0.91 ALDH1A1 (0.59) ALDH1A1KMT2APTGS1MEN1PTK2B
SCHEMBL5512465 0.81 ALDH1A1 (0.69) ALDH1A1KMT2APTGS1MEN1HIF1A
SCHEMBL16143782 0.80 ALDH1A1 (0.59) ALDH1A1KMT2APTGS1MEN1HIF1A
SCHEMBL5514981 0.79 ALDH1A1 (0.67) ALDH1A1KMT2APPARAMEN1HIF1A
SCHEMBL6084916 0.79 KMT2A (0.63) ALDH1A1KMT2APPARGMEN1PTK2B
SCHEMBL2887745 0.79 KMT2A (0.59) ALDH1A1KMT2AMEN1PTK2BNPSR1
SCHEMBL6925754 0.79 KMT2A (0.59) ALDH1A1KMT2AMEN1PTK2BNPSR1
SCHEMBL7710667 0.79 KMT2A (0.63) ALDH1A1KMT2APPARGMEN1PTK2B
SCHEMBL7710661 0.79 KMT2A (0.63) ALDH1A1KMT2APPARGMEN1PTK2B

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
EP-1922398-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-21 EP disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed