SCHEMBL9293289

SCHEMBL9293289

CCOc1cc(OCC)c(C(=O)Cl)c(C(=O)O)c1C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.46
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL4850809 0.77 KDM4E (0.50) TSHRCYP3A4HSD17B10LMNAKDM4E
SCHEMBL1515929 0.77 TSHR (0.59) TSHRCYP3A4HSD17B10LMNAMAPK1
SCHEMBL4410404 0.76 TSHR (0.47) TSHRCYP3A4HSD17B10LMNANPC1
SCHEMBL11516666 0.73 L3MBTL1 (0.52) LMNANPC1KDM4EGLAL3MBTL1
SCHEMBL21939126 0.73 KDM4E (0.45) TSHRCYP3A4HSD17B10LMNAKDM4E
SCHEMBL1880513 0.73 ALDH1A1 (0.56) TSHRCYP3A4HSD17B10LMNAKDM4E
SCHEMBL20504933 0.73 TSHR (0.49) TSHRHSD17B10LMNATHRBKDM4E
SCHEMBL21939119 0.71 TSHR (0.53) TSHRCYP3A4HSD17B10LMNANPC1
SCHEMBL1672245 0.71 CA12 (0.61) TSHRHSD17B10LMNAGLAL3MBTL1
SCHEMBL7802436 0.70 TSHR (0.76) TSHRCYP3A4HSD17B10LMNAKDM4E

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
US-RE34524-E High glass transition temperature INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-01-25 — — US disclosed
EP-0338674-B1 POLYIMIDE COATING COMPOSITIONS BASED ON META-DIALKYDIHYDROGEN PYROMELLITATE AND AROMATIC DIAMINES International Business Machines Corporation (US) 1993-06-09 — — EP disclosed
EP-0338674-A1 Polyimide coating compositions based on meta-dialkydihydrogen pyromellitate and aromatic diamines International Business Machines Corporation (US) 1989-10-25 — — EP disclosed
US-4849501-A Polyimide coating compositions based on meta-dialkyldihydrogen pyromellitate and aromatic diamines INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1989-07-18 — — US disclosed
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