SCHEMBL7024876

SCHEMBL7024876

C=CCCC(=O)C(=C)C1CCCC1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
FAAH O00519 2/20 0.31
MGLL Q99685 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
SCHEMBL7021892 0.97 EPHX1 (0.42) EPHX1ALDH1A1LMNAFAAHMGLL
SCHEMBL7029420 0.75 AAK1 (0.30)
SCHEMBL7023469 0.74 FAAH (0.33) FAAH
SCHEMBL7025902 0.73 KMT2A (0.34) FAAH
SCHEMBL14694390 0.73 POLB (0.42) ALDH1A1
SCHEMBL180345 0.73 CES2 (0.37) EPHX1ALDH1A1FAAH
SCHEMBL7020777 0.73 CES2 (0.37) EPHX1ALDH1A1FAAH
SCHEMBL7020253 0.73 CES2 (0.37) EPHX1ALDH1A1FAAH
SCHEMBL2220507 0.71 EPHX1 (0.48) EPHX1
SCHEMBL2688799 0.67 EPHX1 (0.54) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1063229-B1 Alpha, beta-unsaturated ketones GIVAUDAN SA (CH) 2003-02-19 EP disclosed
US-6184419-B1 HAVING A GREEN-GALBANUM, FRESH (METALLIC, UNDECATRIENE TYPE) AND FRUITY-PINEAPPLE AND/OR FRUITY-CASSIS ODOR; AN INTENSE AND LONG LASTING ODOR; PERFUMES; HOUSEHOLD AND LAUNDRY PRODUCTS; COSMETICS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-02-06 US disclosed
EP-1063229-A1 Alpha, beta-unsaturated ketones Givaudan SA (CH) 2000-12-27 EP disclosed