SCHEMBL27771803

SCHEMBL27771803

CC(C)(C)OC(=O)c1c[nH]c2cccc(CCCO)c12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.43
▸ HTR2A P28223 6/20 0.39
▸ SLC6A2 P23975 5/20 0.39
▸ CREBBP Q92793 1/20 0.38
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 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
SCHEMBL1759590 0.87 NR4A2 (0.47) NR4A2CREBBP
SCHEMBL27771709 0.84 NR4A2 (0.49) NR4A2CREBBPMTNR1AMTNR1B
SCHEMBL3995062 0.77 NR4A2 (0.72) NR4A2CREBBP
SCHEMBL28046327 0.77 NR4A2 (0.49) NR4A2HTR2ACREBBPHTR2CHTR2B
SCHEMBL5592328 0.77 NR4A2 (0.49) NR4A2CREBBP
SCHEMBL27771713 0.75 PTGDR2 (0.48) NR4A2HTR2ASLC6A2HTR2C
SCHEMBL1760252 0.74 NR4A2 (0.47) NR4A2CREBBP
SCHEMBL27909433 0.74 NR4A2 (0.46) NR4A2CREBBP
SCHEMBL28284795 0.73 NR4A2 (0.49) NR4A2CREBBP
SCHEMBL9720220 0.73 ALDH1A1 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102442941-A Polycyclic acid compounds useful as crth2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2012-05-09 — — CN disclosed
CN-101636386-A Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2010-01-27 — — CN disclosed
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