SCHEMBL3918201

SCHEMBL3918201

CCCCc1ccc(C(O)(C=O)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ PLK1 P53350 1/20 0.50
▸ THRA P10827 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ CA2 P00918 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ RARB P10826 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ESR1 P03372 2/20 0.44
▸ ADRA2A P08913 2/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ TACR2 P21452 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SHBG P04278 1/20 0.44

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
SCHEMBL31589091 0.80 CA2 (0.53) ALDH1A1HSD17B10HPGDPLK1THRA
Formic Acid SCHEMBL28060935 0.80 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDPLK1THRA
SCHEMBL5073453 0.79 PLK1 (0.51) ALDH1A1HSD17B10HPGDPLK1THRA
SCHEMBL18911119 0.79 CA2 (0.52) ALDH1A1HSD17B10HPGDPLK1THRA
SCHEMBL11762587 0.78 KIF11 (0.47) ALDH1A1HSD17B10HPGDPLK1THRA
SCHEMBL18911124 0.76 CA1 (0.48) ALDH1A1HSD17B10HPGDPLK1THRA
SCHEMBL18911123 0.76 CA2 (0.48) ALDH1A1HSD17B10HPGDPLK1THRA
SCHEMBL406247 0.75 HPGD (0.51) ALDH1A1HSD17B10HPGDPLK1THRA
SCHEMBL30607138 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDPLK1THRA
SCHEMBL18241903 0.75 CA2 (0.52) ALDH1A1HSD17B10HPGDPLK1THRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038341-A1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSMIP Assets B.V. (NL) 2009-03-25 — — EP disclosed
EP-2038340-A1 PROCESS FOR IMPROVING THE BIODEGRADABILITY OF A POLYMER DSMIP Assets B.V. (NL) 2009-03-25 — — EP disclosed
WO-2008006493-A1 COMPOSITION WITH A POLYMER AND AN OXIDATION-CATALYST DSM IP ASSETS B.V. (NL) 2008-01-17 — — WO disclosed
WO-2008006492-A1 PROCESS FOR IMPROVING THE BIODEGRADABILITY OF A POLYMER DSM IP ASSETS B.V. (NL) 2008-01-17 — — WO disclosed
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