SCHEMBL19895797

SCHEMBL19895797

CCOC(=O)C(C)c1ccccc1SC(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ PIN1 Q13526 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TSHR P16473 2/20 0.37
▸ HPGD P15428 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL19895770 0.87 TDP1 (0.39) TDP1MAPTPIN1LMNAL3MBTL1
SCHEMBL18113105 0.85 PTGS1 (0.41) TDP1MAPTLMNAL3MBTL1KMT2A
SCHEMBL31620825 0.79 ALDH1A1 (0.45) TDP1MAPTPIN1LMNAL3MBTL1
SCHEMBL18113078 0.77 ALDH1A1 (0.44) TDP1PIN1LMNAKMT2ANPC1
SCHEMBL18113061 0.77 ATM (0.37) TDP1MAPTLMNAL3MBTL1KMT2A
SCHEMBL18113124 0.75 ACHE (0.44) TDP1MAPTLMNAL3MBTL1MAPK1
SCHEMBL18113257 0.75 MAPT (0.49) TDP1MAPTPIN1LMNAL3MBTL1
SCHEMBL27993659 0.73 TSHR (0.48) TDP1PIN1LMNAL3MBTL1KMT2A
SCHEMBL363983 0.73 TSHR (0.48) TDP1PIN1LMNAKMT2ANPC1
SCHEMBL18113305 0.72 TDP1 (0.44) TDP1MAPTPIN1LMNAL3MBTL1

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
EP-3277736-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-03-27 — — EP disclosed
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 — — US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 — — US disclosed
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