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Sugi Predict / Compounds / SCHEMBL6155559

SCHEMBL6155559

SCHEMBL6155559

CC(CC=CC(C)(C)O)c1cccc(OCc2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.43
▸ NR4A1 P22736 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ NR4A3 Q92570 1/20 0.41
▸ ALOX5 P09917 1/20 0.39
▸ MRGPRX4 Q96LA9 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL6155553 1.00 FFAR1 (0.43) FFAR1NR4A1NR4A2NR4A3ALOX5
SCHEMBL6156517 0.91 FFAR1 (0.41) FFAR1NR4A1NR4A2NR4A3ALOX5
SCHEMBL6156514 0.91 FFAR1 (0.41) FFAR1NR4A1NR4A2NR4A3ALOX5
SCHEMBL6880160 0.88 FFAR1 (0.42) FFAR1MRGPRX4ADAMTS4
SCHEMBL6880164 0.88 FFAR1 (0.42) FFAR1MRGPRX4ADAMTS4
SCHEMBL6155865 0.82 FFAR1 (0.40) FFAR1NR4A1NR4A2NR4A3ALOX5
SCHEMBL6155852 0.82 VDR (0.49) FFAR1ALOX5
SCHEMBL6155872 0.82 VDR (0.49) FFAR1ALOX5
SCHEMBL6881435 0.80 FFAR1 (0.39) FFAR1MRGPRX4ADAMTS4
SCHEMBL6881433 0.80 FFAR1 (0.39) FFAR1MRGPRX4ADAMTS4

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-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 — — EP disclosed