SCHEMBL4261072

SCHEMBL4261072

CC(C)=CC[CH]c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
AKR1C3 P42330 1/20 0.40
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2A6 P11509 1/20 0.40
RECQL P46063 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 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
SCHEMBL8991649 0.82 PPARG (0.55) ALDH1A1TSHRRECQLPPARGPPARA
SCHEMBL1517915 0.77 PAM (0.50) GLATDP1PPARGPPARAALOX15
SCHEMBL2142092 0.76 ALDH1A1 (0.56) ALDH1A1TSHRCYP2A6RECQLLMNA
SCHEMBL11070730 0.72 ALDH1A1 (0.46) ALDH1A1TSHRAKR1C3GLATDP1
SCHEMBL3012 0.71
SCHEMBL9355914 0.70 CYP3A4 (0.39) FBP1ALDH1A1TSHRAKR1C3GLA
SCHEMBL7949247 0.70 AKR1C3 (0.48) FBP1ALDH1A1TSHRAKR1C3GLA
SCHEMBL60657 0.69 ALDH1A1 (0.58) FBP1ALDH1A1TSHRAKR1C3GLA
SCHEMBL398335 0.69
Ammonia Solution, Strong SCHEMBL27654519 0.69 ALDH1A1 (0.48) ALDH1A1TSHRCYP2A6LMNAMEN1

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-1783130-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANECARBOXYLATE COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-12-30 EP disclosed
EP-1783130-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANECARBOXYLATE COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-05-09 EP disclosed
EP-0005646-B1 ISOQUINOLINE COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL FORMULATIONS CONTAINING THEM AND INTERMEDIATES Lilly Industries Limited (GB) 1982-05-12 EP disclosed