SCHEMBL8985173

SCHEMBL8985173

CCCCCCCCCCCC(CC1=CC(=O)OC1O)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.40
PDCD4 Q53EL6 4/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BIRC2 Q13490 3/20 0.36
NAAA Q02083 1/20 0.36
GLS2 Q9UI32 2/20 0.35
ABCB1 P08183 1/20 0.34
DNTT P04053 1/20 0.34

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
SCHEMBL9837979 0.86 GRIK1 (0.41) CA2PDCD4
SCHEMBL9326304 0.80 PRKCD (0.39) PDCD4CYP3A4CYP2C19
SCHEMBL9766944 0.76 CYP3A4 (0.34) ZDHHC7PDCD4CYP3A4CYP2C9CYP2C19
SCHEMBL9746758 0.74 PDCD4 (0.34) PDCD4CYP3A4CYP2C9CYP2C19NAAA
SCHEMBL10576887 0.72 ACHE (0.39) PDCD4CYP2C9CYP2C19
SCHEMBL7302029 0.72 ACHE (0.39) PDCD4CYP2C9CYP2C19
SCHEMBL7298216 0.72 ACHE (0.39) PDCD4CYP2C9CYP2C19
SCHEMBL21356697 0.72 CA2 (0.70) CA1CA2ZDHHC7BIRC2ABCB1
SCHEMBL18429981 0.72 CA2 (0.70) CA1CA2ZDHHC7BIRC2ABCB1
SCHEMBL21356686 0.72 CA2 (0.70) CA1CA2ZDHHC7BIRC2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5059611-A Treating psoriasis and modifying calcium homeostatis ALLERGAN, INC. (US) 1991-10-22 US claimed
EP-0369812-A2 Anti-inflammatory 5-hydroxy-2-furanones ALLERGAN, INC (US) 1990-05-23 EP claimed
US-5541221-A Pharmaceutical compositions and method for administering 3 and 4-substituted 2(5H)-furanones to a mammal for inhibiting bone loss ALLERGAN (US) 1996-07-30 US disclosed
EP-0637240-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3 AND 4-SUBSTITUTED 2(5H)-FURANONES FOR INHIBITING BONE LOSS ALLERGAN, INC. (US) 1995-02-08 EP disclosed
US-5387606-A Pharmaceutical compositions and method for administering 3 and 4-substituted 2(5H)-furanones to a mammal for inhibiting bone loss ALLERGAN, INC. (US) 1995-02-07 US disclosed
US-5268387-A Containing ester or carbamate group ALLERGAN, INC. (US) 1993-12-07 US disclosed
WO-1993021915-A1 PHARMACEUTICAL COMPOSITIONS FOR INHIBITING BONE LOSS CONTAINING 3 AND 4-SUBSTITUTED 2(5H)-FURANONES ALLERGAN, INC. (US) 1993-11-11 WO disclosed
US-5059611-A Treating psoriasis and modifying calcium homeostatis ALLERGAN, INC. (US) 1991-10-22 US disclosed
EP-0369812-A2 Anti-inflammatory 5-hydroxy-2-furanones ALLERGAN, INC (US) 1990-05-23 EP disclosed