SCHEMBL11198771

SCHEMBL11198771

CCCCCCCCCCCCCCCCCCOP(=O)(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR3 Q9UBY5 6/20 0.41
▸ LPAR2 Q9HBW0 5/20 0.41
▸ LPAR1 Q92633 2/20 0.41
▸ HMGCR P04035 2/20 0.38
▸ GGPS1 O95749 2/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ S1PR4 O95977 2/20 0.35
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ S1PR5 Q9H228 2/20 0.35

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
SCHEMBL11171407 0.82 HMGCR (0.48) LPAR3LPAR2LPAR1HMGCRLMNA
SCHEMBL5078168 0.82 HMGCR (0.48) LPAR3LPAR2LPAR1HMGCRLMNA
SCHEMBL11154052 0.82 HMGCR (0.48) LPAR3LPAR2LPAR1HMGCRLMNA
SCHEMBL5417159 0.82 HMGCR (0.48) LPAR3LPAR2LPAR1HMGCRLMNA
SCHEMBL5410693 0.82 HMGCR (0.48) LPAR3LPAR2LPAR1HMGCRLMNA
SCHEMBL5415808 0.82 HMGCR (0.48) LPAR3LPAR2LPAR1HMGCRLMNA
SCHEMBL39022 0.82 HMGCR (0.48) LPAR3LPAR2LPAR1HMGCRLMNA
SCHEMBL21814199 0.82 HMGCR (0.48) LPAR3LPAR2LPAR1HMGCRLMNA
SCHEMBL21359725 0.82 HMGCR (0.48) LPAR3LPAR2LPAR1HMGCRLMNA
SCHEMBL10984731 0.80 HMGCR (0.49) LPAR3LPAR2LPAR1HMGCRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4421897-A ADHESIVES, COATINGS, MOLDING MATERIALS CIBA-GEIGY CORPORATION (US) 1983-12-20 — — US disclosed
US-4339571-A DIGLYCIDYL ISOPHTHALATE, OR TEREPHTHALATE CIBA-GEIGY CORPORATION (US) 1982-07-13 — — US disclosed
US-4296231-A CONTAINING A HYDROXY AND ETHER-CONTAINING AMINE COMPOUND AS A CURING CATALYST CIBA-GEIGY CORPORATION (US) 1981-10-20 — — US disclosed
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