SCHEMBL16573109

SCHEMBL16573109

CC(C)Oc1ccc(N2C=CC(C3=CC(C)N(c4ccc(OC(C)C)cc4)C=C3)=CC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16573108 0.86 SIGMAR1 (0.33) KMT2AMAPTHSD17B10SMN1; SMN2
SCHEMBL11504237 0.61 KMT2A (0.49) KMT2AMAPTUSP2ALDH1A1ALOX15
SCHEMBL19648885 0.59 BCHE (0.35) KMT2AMAPTHSD17B10
SCHEMBL20000542 0.59 MAPT (0.66) KMT2AMAPTUSP2ALDH1A1ALOX15
SCHEMBL19733936 0.58 MAPT (0.47) KMT2AMAPTUSP2ALDH1A1ALOX15
SCHEMBL125543 0.58 ALDH1A3 (0.64) KMT2AALDH1A1
SCHEMBL5269363 0.56 ACACB (0.43) KMT2AMAPTUSP2ALDH1A1ALOX15
SCHEMBL2244406 0.56 ACACB (0.43) KMT2AMAPTUSP2ALDH1A1ALOX15
SCHEMBL4515500 0.55 ADRB1 (0.66) KMT2AMAPTUSP2ALDH1A1ALOX15
SCHEMBL17404865 0.55 KMT2A (0.46) KMT2AMAPTUSP2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015040029-A2 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2015-03-26 WO disclosed
WO-2015040030-A2 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2015-03-26 WO disclosed
EP-2848669-A1 Electrochromic composition ESSILOR INTERNATIONAL (Compagnie Générale d'Optique) (FR) 2015-03-18 EP disclosed
EP-2848670-A1 Electrochromic composition ESSILOR INTERNATIONAL (Compagnie Générale d'Optique) (FR) 2015-03-18 EP disclosed