SCHEMBL8693533

SCHEMBL8693533

CC[CH]OC(=O)OC1CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
NAAA Q02083 2/20 0.34
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SOAT1 P35610 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
SCHEMBL8693865 0.92 EPHX1 (0.42) EPHX1NAAACYP19A1
SCHEMBL450993 0.92 EPHX1 (0.46) EPHX1NAAACYP19A1ALDH1A1
SCHEMBL8579933 0.90 EPHX1 (0.49) EPHX1NAAACYP19A1ALDH1A1
SCHEMBL453873 0.90 EPHX1 (0.49) EPHX1NAAACYP19A1ALDH1A1
SCHEMBL8691321 0.84 NAAA (0.36) EPHX1NAAAALDH1A1
SCHEMBL1568468 0.79 CYP19A1 (0.44) EPHX1NAAACYP19A1
SCHEMBL8691006 0.77 NAAA (0.41) EPHX1NAAAALDH1A1
SCHEMBL450932 0.77 NAAA (0.45) EPHX1NAAACYP19A1ALDH1A1
SCHEMBL8630969 0.76 NAAA (0.46) EPHX1NAAACYP19A1ALDH1A1
SCHEMBL451498 0.76 NAAA (0.46) EPHX1NAAACYP19A1ALDH1A1

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
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed