SCHEMBL18240657

SCHEMBL18240657

CC(=CC(c1ccccc1)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
AKR1C3 P42330 1/20 0.43
KEAP1 Q14145 4/20 0.42
NFE2L2 Q16236 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
APEX1 P27695 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
STAT3 P40763 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
SCHEMBL18240656 1.00 LMNA (0.46) LMNAAKR1C3KEAP1NFE2L2ALDH1A1
SCHEMBL18240573 0.95 STAT3 (0.41) LMNAAKR1C3ALDH1A1SMN1; SMN2CNR1
SCHEMBL18240574 0.95 STAT3 (0.41) LMNAAKR1C3ALDH1A1SMN1; SMN2CNR1
SCHEMBL1334629 0.91 AKR1C3 (0.50) LMNAAKR1C3APEX1KMT2ACES2
SCHEMBL1334624 0.91 AKR1C3 (0.50) LMNAAKR1C3APEX1KMT2ACES2
SCHEMBL18240604 0.89 ACP3 (0.41) LMNAAKR1C3KEAP1NFE2L2ALDH1A1
SCHEMBL18240605 0.89 ACP3 (0.41) LMNAAKR1C3KEAP1NFE2L2ALDH1A1
SCHEMBL18240602 0.89 ACP3 (0.41) LMNAAKR1C3KEAP1NFE2L2ALDH1A1
SCHEMBL18240784 0.87 LMNA (0.43) LMNANFE2L2ALDH1A1SMN1; SMN2MEN1
SCHEMBL18240785 0.87 LMNA (0.43) LMNANFE2L2ALDH1A1SMN1; SMN2MEN1

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
EP-2906970-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2016-11-23 EP claimed