SCHEMBL6552398

SCHEMBL6552398

CC/C(=C/CO)c1cc(C(C)C)cc(C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ TYR P14679 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
SCHEMBL7978476 0.82 GABRA1 (0.36) GABRA1GABRB2TYR
SCHEMBL2170750 0.68 ATM (0.43) —
SCHEMBL2170748 0.68 ATM (0.43) —
SCHEMBL17363836 0.68 ATM (0.43) —
SCHEMBL16953048 0.66 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL21556465 0.66 MAPT (0.44) TYR
SCHEMBL6916487 0.64 FABP3 (0.41) GABRA1GABRB2
Hydrogen Peroxide SCHEMBL3271571 0.64 FABP3 (0.52) GABRA1GABRB2TYR
Hydrogen Peroxide SCHEMBL3267226 0.64 FABP3 (0.52) GABRA1GABRB2TYR
Hydrogen Peroxide SCHEMBL11574983 0.64 FABP3 (0.52) GABRA1GABRB2TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1388534-A2 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors Allergan, Inc. (US) 2004-02-11 — — EP disclosed
EP-1117628-B1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN INC (US) 2003-11-19 — — EP disclosed
US-6403638-B1 COMPOUND FOR USE IN TREATING SKIN DISEASES AND DISORDERS, AND FOR TREATING HYPERVITAMINOSIS A SYNDROME ALLERGAN SALES, INC. 2002-06-11 — — US disclosed
WO-2001070662-A2 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN , INC. (US) 2001-09-27 — — WO disclosed
EP-1117628-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS Allergan Sales, Inc. (US) 2001-07-25 — — EP disclosed
US-6147224-A 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors ALLERGAN SALES, INC. (US) 2000-11-14 — — US disclosed
WO-2000020370-A1 2, 4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN SALES, INC. (US) 2000-04-13 — — WO disclosed
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