SCHEMBL27897808

SCHEMBL27897808

CC(C)C(=O)O.O=C(O)c1cccc(CCO)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.58
▸ CYP4A11 Q02928 2/20 0.58
▸ FOLH1 Q04609 8/20 0.53
▸ MEP1B Q16820 4/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.49
▸ ANPEP P15144 1/20 0.48
▸ ENPEP Q07075 1/20 0.48

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
SCHEMBL334419 0.90 CYP4F2 (0.64) CYP4F2CYP4A11FOLH1MEP1BANPEP
Hydrochloric Acid SCHEMBL11527299 0.88 CYP4F2 (0.62) CYP4F2CYP4A11FOLH1MEP1BANPEP
Phenylethyl Alcohol SCHEMBL27469707 0.81 TDP1 (0.67) CYP4F2CYP4A11
SCHEMBL371526 0.80 FOLH1 (0.70) FOLH1MEP1BMRGPRX4ANPEPENPEP
SCHEMBL848969 0.80 FOLH1 (0.56) FOLH1MEP1BMRGPRX4ANPEPENPEP
SCHEMBL5473039 0.80 CYP4F2 (0.62) CYP4F2CYP4A11FOLH1MEP1BANPEP
SCHEMBL5280086 0.78 CYP4F2 (0.67) CYP4F2CYP4A11FOLH1MEP1BANPEP
SCHEMBL12235066 0.78 CYP4F2 (0.67) CYP4F2CYP4A11MRGPRX4
SCHEMBL991080 0.78 FOLH1 (0.61) FOLH1MRGPRX4ANPEPENPEP
SCHEMBL30354557 0.78 FOLH1 (0.61) FOLH1MRGPRX4ANPEPENPEP

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-102796127-A Spherical magnesium halide adduct and preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2012-11-28 — — CN disclosed
CN-102796131-A Spherical magnesium halide adduct and preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2012-11-28 — — CN disclosed
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