SCHEMBL19895790

SCHEMBL19895790

CCOC(=O)c1ccccc1SC(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.61
▸ ALDH1A1 P00352 9/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HSD17B10 Q99714 5/20 0.53
▸ KDM4E B2RXH2 6/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CDC25B P30305 3/20 0.46

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
SCHEMBL18113159 0.90 TSHR (0.65) TSHRALDH1A1NPSR1LMNAHSD17B10
SCHEMBL18113182 0.85 ALDH1A1 (0.58) TSHRALDH1A1NPSR1LMNAHSD17B10
SCHEMBL18113301 0.83 TSHR (0.62) TSHRALDH1A1NPSR1LMNAHSD17B10
SCHEMBL18113099 0.83 TSHR (0.62) TSHRALDH1A1NPSR1LMNAHSD17B10
SCHEMBL11633418 0.82 TSHR (0.71) TSHRALDH1A1NPSR1LMNAHSD17B10
SCHEMBL944028 0.82 TSHR (0.71) TSHRALDH1A1NPSR1LMNAHSD17B10
SCHEMBL18113235 0.81 TSHR (0.61) TSHRALDH1A1NPSR1LMNAHSD17B10
SCHEMBL7754646 0.80 TSHR (0.69) TSHRALDH1A1NPSR1LMNAHSD17B10
SCHEMBL2027590 0.80 TSHR (0.71) TSHRALDH1A1NPSR1LMNAHSD17B10
SCHEMBL1959525 0.80 TSHR (0.69) TSHRALDH1A1NPSR1LMNAHSD17B10

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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