SCHEMBL9876237

SCHEMBL9876237

Cc1cc(C(C)C)cc(C)c2cccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
PTGS1 P23219 2/20 0.41
TRPA1 O75762 1/20 0.41
CACNA1C Q13936 1/20 0.41
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
HDAC4 P56524 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MDM4 O15151 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TYR P14679 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL20676163 0.82 LMNA (0.77) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL2581740 0.80 LMNA (0.67) LMNAPTGS1TRPA1CACNA1CHDAC4
SCHEMBL10416092 0.78 LMNA (0.86) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL24102178 0.75 LMNA (0.65) LMNAPTGS1TRPA1CACNA1CAKR1C3
SCHEMBL16852245 0.73 AKR1C3 (0.69) LMNAAKR1C3AKR1C2HDAC4HDAC8
SCHEMBL30865662 0.73 LMNA (0.47) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL29831674 0.73 CYP1A2 (0.54) LMNAPTGS1TRPA1CACNA1CHDAC4
SCHEMBL11449736 0.73 LMNA (0.44) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL5027898 0.73 ACHE (0.47) ALDH1A1TP53TDP1ACHEPDK2
SCHEMBL28503898 0.72 LMNA (0.50) LMNAPTGS1TRPA1CACNA1CMETAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed