SCHEMBL4622029

SCHEMBL4622029

O=C(c1ccccc1)c1ccccc1COCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ AKR1C3 P42330 1/20 0.48
▸ GAA P10253 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ LIG1 P18858 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL7865177 0.91 L3MBTL1 (0.54) L3MBTL1AKR1C3GAAMAPTCYP19A1
SCHEMBL9358998 0.85 L3MBTL1 (0.52) L3MBTL1AKR1C3GAAMAPTCYP19A1
SCHEMBL24834273 0.81 CYP3A4 (0.46) L3MBTL1AKR1C3GAAMAPTCYP19A1
SCHEMBL1558507 0.81 L3MBTL1 (0.51) L3MBTL1AKR1C3GAAMAPTCYP19A1
SCHEMBL4729690 0.81 L3MBTL1 (0.51) L3MBTL1AKR1C3GAAMAPTCYP19A1
SCHEMBL29898649 0.80 AKR1C3 (0.57) L3MBTL1AKR1C3GAAMAPTCYP19A1
SCHEMBL417620 0.80 AKR1C3 (0.57) L3MBTL1AKR1C3GAAMAPTCYP19A1
SCHEMBL27482417 0.79 PTPRC (0.54) L3MBTL1AKR1C3GAAMAPTALDH1A1
SCHEMBL11036287 0.79 AKR1C3 (0.61) L3MBTL1AKR1C3GAAMAPTCYP19A1
SCHEMBL31414970 0.78 AKR1C3 (0.55) L3MBTL1AKR1C3GAAMAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898871-A2 USE OF HYDROPHOBIN-POLYPEPTIDES AND CONJUGATES FROM HYDROPHOBIN-POLYPEPTIDES HAVING ACTIVE AND EFFECT AGENTS AND THE PRODUCTION THEREOF AND USE THEREOF IN THE COSMETIC INDUSTRY BASF SE (DE) 2008-03-19 — — EP disclosed
WO-2006136607-A2 USE OF HYDROPHOBIN-POLYPEPTIDES AND CONJUGATES FROM HYDROPHOBIN-POLYPEPTIDES HAVING ACTIVE AND EFFECT AGENTS AND THE PRODUCTION THEREOF AND USE THEREOF IN THE COSMETIC INDUSTRY BASF AKTIENGESELLSCHAFT (DE) 2006-12-28 — — WO disclosed
WO-2006128781-A1 COSMETIC PREPARATIONS CONTAINING AQUEOUS ANIS FRUIT EXTRACT AND HIGH POLYOLS BEIERSDORF AG (DE) 2006-12-07 — — WO disclosed
EP-1438017-A1 IMPREGNATING SOLUTION FOR COSMETIC CLOTHS Cognis Deutschland GmbH & Co. KG (DE) 2004-07-21 — — EP disclosed
WO-2003037293-A1 IMPREGNATING SOLUTION FOR COSMETIC CLOTHS COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2003-05-08 — — WO disclosed
WO-2002088150-A1 PHOSPHORIC ACID ESTERS COGNIS IBERIA, S.L. (ES) 2002-11-07 — — WO disclosed
WO-2002087538-A1 USE OF CATIONIC PREPARATIONS COGNIS IBERIA, S.L. (ES) 2002-11-07 — — WO disclosed
WO-2002087537-A1 USE OF CATIONIC PREPARATIONS COGNIS IBERIA, S.L. (ES) 2002-11-07 — — WO disclosed
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