SCHEMBL8639340

SCHEMBL8639340

C=C(CC=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
ATM Q13315 1/20 0.47
HIF1A Q16665 1/20 0.47
LMNA P02545 2/20 0.46
RECQL P46063 1/20 0.46
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL13984335 0.81 ALOX5 (0.53) ALDH1A1KMT2ANPSR1MAPTMEN1
SCHEMBL699315 0.78 LMNA (0.51) ALDH1A1KMT2ANPSR1MAPTMEN1
SCHEMBL8880056 0.76 LMNA (0.50) ALDH1A1KMT2ANPSR1MEN1LMNA
SCHEMBL6313127 0.76 LMNA (0.50) ALDH1A1KMT2ANPSR1MEN1LMNA
Methane SCHEMBL8675925 0.75 LMNA (0.49) ALDH1A1KMT2ANPSR1MEN1LMNA
SCHEMBL7625910 0.74 CA2 (0.45) ALDH1A1KMT2ANPSR1MAPTMEN1
SCHEMBL622695 0.73 VCAM1 (0.48) ALDH1A1KMT2ANPSR1MEN1LMNA
SCHEMBL25760105 0.72 ALOX5 (0.51) ALDH1A1KMT2ANPSR1MAPTMEN1
SCHEMBL8112729 0.72 VCAM1 (0.50) ALDH1A1KMT2ANPSR1MEN1LMNA
SCHEMBL4729051 0.72 ALDH1A1 (0.65) ALDH1A1KMT2ANPSR1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808138-A BUBBLING OR ADDING SOLID CARBON DIOXIDE BASF AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5728317-A POLYISOCYANURATES FROM POLYISOCYANATES WITH STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1998-03-17 US disclosed