SCHEMBL1572909

SCHEMBL1572909

COc1c(C)cc([C@@H](O)C(=O)O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
BLM P54132 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
PPARA Q07869 2/20 0.39
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
ACHE P22303 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35

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
SCHEMBL1572907 1.00 TSHR (0.49) TSHRBLMNPSR1ALDH1A1LMNA
SCHEMBL9319881 0.82 CD69 (0.43) TSHRALDH1A1
SCHEMBL9319877 0.82 CD69 (0.43) TSHRALDH1A1
SCHEMBL3669295 0.81 AKR1C3 (0.51) TSHRALDH1A1LMNAMAPK1PPARA
SCHEMBL1572866 0.81 BLM (0.62) TSHRBLMNPSR1ALDH1A1MAPK1
SCHEMBL1572868 0.81 BLM (0.62) TSHRBLMNPSR1ALDH1A1MAPK1
SCHEMBL9191183 0.80 THRB (0.39) TSHRBLMNPSR1ALDH1A1LMNA
SCHEMBL9458303 0.80 THRB (0.39) TSHRBLMNPSR1ALDH1A1LMNA
SCHEMBL1573058 0.79 LMNA (0.48) TSHRBLMNPSR1ALDH1A1LMNA
SCHEMBL1573057 0.79 LMNA (0.48) TSHRBLMNPSR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044067-B2 Isoquinolines as IGF-1R inhibitors ANALYTECON S.A. (CH) 2011-10-25 US disclosed
EP-1931636-B1 ISOQUINOLINES AS IGF-1R INHIBITORS ANALYTECON SA (CH) 2011-04-13 EP disclosed
US-5367008-A 3-(alkoxyphenyl)benzofuran-2-ones as stabilisers CIBA-GEIGY CORPORATION (US) 1994-11-22 US disclosed
US-5260430-A Stabilizers for organic materials against oxidative, thermal and light degradation CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed
US-5252643-A Heat, oxidation and light stabilizers CIBA-GEIGY CORPORATION (US) 1993-10-12 US disclosed
US-5216052-A Useful for stabilization of synthetic polymers against oxidative, thermal and light-induced degradation CIBA-GEIGY CORPORATION (US) 1993-06-01 US disclosed