SCHEMBL18240664

SCHEMBL18240664

COc1ccc(C(C=C(C)C(=O)O)c2cccc(C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
ACP3 P15309 2/20 0.40
CCKAR P32238 2/20 0.40
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNK3 O14649 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 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
SCHEMBL18240666 1.00 GAA (0.41) GAANPC1RAB9ARELASMN1; SMN2
SCHEMBL18240662 1.00 GAA (0.41) GAANPC1RAB9ARELASMN1; SMN2
SCHEMBL18240624 0.91 ACHE (0.46) GAANPC1RAB9AACP3MEN1
SCHEMBL18240625 0.91 ACHE (0.46) GAANPC1RAB9AACP3MEN1
SCHEMBL18240627 0.91 ACHE (0.46) GAANPC1RAB9AACP3MEN1
SCHEMBL18240605 0.88 ACP3 (0.41) GAASMN1; SMN2TP53ACP3ALDH1A1
SCHEMBL18240604 0.88 ACP3 (0.41) GAASMN1; SMN2TP53ACP3ALDH1A1
SCHEMBL18240602 0.88 ACP3 (0.41) GAASMN1; SMN2TP53ACP3ALDH1A1
SCHEMBL18240644 0.88 ACP3 (0.51) GAANPC1RAB9ATP53ACP3
SCHEMBL18240641 0.88 ACP3 (0.51) GAANPC1RAB9ATP53ACP3

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