SCHEMBL1993772

SCHEMBL1993772

CC(C)(C)c1cc(CC(CCSC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.40
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 4/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
BLM P54132 2/20 0.38
ATM Q13315 2/20 0.38
HIF1A Q16665 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38
GAA P10253 5/20 0.37
LMNA P02545 3/20 0.37
GMNN O75496 1/20 0.36
GABBR2 O75899 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL134694 0.87 HMGCR (0.44) HMGCRKMT2AALDH1A1MEN1TSHR
Methane SCHEMBL30445756 0.85 HMGCR (0.43) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL606925 0.85 HMGCR (0.49) HMGCRKMT2AALDH1A1MEN1TSHR
Ethylene SCHEMBL10684745 0.82 HMGCR (0.47) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL106365 0.82 HMGCR (0.47) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL28241654 0.81 HMGCR (0.42) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL5572667 0.81 HMGCR (0.49) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL29555343 0.81 HMGCR (0.48) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL5501791 0.80 CPA3 (0.54) HMGCRKMT2AALDH1A1MEN1TSHR
SCHEMBL3296533 0.80 PPARG (0.50) HMGCRKMT2AALDH1A1MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110147042-A1 ELECTRICAL CABLE AND INSULATING COMPOSITION POLYETHYLENE BASED RESISTANT TO TRACKING CONDUCTORES MONTERREY, S.A. DE C. V. (MX) 2011-06-23 US disclosed
US-6770125-B2 Reversible thermochromic composition NEW PRISMATIC ENTERPRISE CO., LTD. (TW) 2004-08-03 US disclosed
EP-0908501-B1 Reversible thermochromic composition PILOT INK CO LTD (JP) 2003-07-09 EP disclosed
US-20030121448-A1 Reversible thermochromic composition NEW PRISMATIC ENTERPRISE CO., LTD. (TW) 2003-07-03 US disclosed
EP-0678377-B1 Thermochromic laminate PILOT INK CO LTD (JP) 2000-09-20 EP disclosed
EP-0994175-A2 Turbine oils with excellent high temperature oxidative stability ETHYL CORPORATION (US) 2000-04-19 EP disclosed
US-6048387-A SPECIFIED DIAZARHODAMINE LACTONE DERIVATIVE AS AN ELECTRON-DONATING COLOR-DEVELOPING ORGANIC COMPOUND THE PILOT INK CO., LTD. (JP) 2000-04-11 US disclosed
EP-0908501-A1 Reversible thermochromic composition THE PILOT INK CO., LTD. (JP) 1999-04-14 EP disclosed
EP-0659582-B1 Reversible thermochromic composition PILOT INK CO LTD (JP) 1998-05-13 EP disclosed
US-5688592-A Thermochromic laminate comprising light intercepting pigment and light stabilizer THE PILOT INK CO., LTD. (JP) 1997-11-18 US disclosed
EP-0678377-A1 Thermochromic laminate THE PILOT INK CO., LTD. (JP) 1995-10-25 EP disclosed
EP-0659582-A1 Reversible thermochromic composition THE PILOT INK CO., LTD. (JP) 1995-06-28 EP disclosed