SCHEMBL8417567

SCHEMBL8417567

CC1(C)C2CCC1(C)C(C(=O)O)C2.CC1(C)C2CCC1(C)C(CC(=O)O)C2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.39
CXCR3 P49682 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL825391 0.91 EPHX2 (0.44) EPHX2CXCR3ALDH1A1LMNA
SCHEMBL2925222 0.91 EPHX2 (0.44) EPHX2CXCR3ALDH1A1LMNA
SCHEMBL29792989 0.91 EPHX2 (0.44) EPHX2CXCR3ALDH1A1LMNA
Acetic Acid SCHEMBL27883501 0.88 EPHX2 (0.42) EPHX2CXCR3ALDH1A1LMNA
SCHEMBL31180745 0.86 EPHX2 (0.44) EPHX2ALDH1A1LMNA
SCHEMBL29710695 0.86 EPHX2 (0.44) EPHX2ALDH1A1LMNA
SCHEMBL223632 0.86 EPHX2 (0.44) EPHX2ALDH1A1LMNA
SCHEMBL16678151 0.86 EPHX2 (0.44) EPHX2ALDH1A1LMNA
SCHEMBL1665205 0.86 EPHX2 (0.44) EPHX2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL1461313 0.84 EPHX2 (0.43) EPHX2ALDH1A1LMNA

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
EP-0739874-B1 Preparation of polyalkylated cyclopentadienes from isobornyl carboxylates ALBEMARLE CORP (US) 1999-09-22 EP claimed