SCHEMBL14626864

SCHEMBL14626864

COc1cc(CC(C)=O)ccc1/C=C/c1cn(C)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ POLB P06746 1/20 0.53
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ IMPDH2 P12268 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NR4A2 P43354 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ S1PR2 O95136 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL14591793 0.88 MAPT (0.48) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL14626862 0.85 MAPT (0.49) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL14626639 0.81 KMT2A (0.52) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL14626707 0.78 MAPT (0.51) MAPTPOLBMEN1KMT2AABCG2
SCHEMBL14626967 0.76 MAPT (0.73) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL14626962 0.75 POLB (0.63) MAPTPOLBMEN1KMT2AABCG2
SCHEMBL14591788 0.73 MAPT (0.46) MAPTMEN1KMT2ANPC1CASP3
SCHEMBL14626964 0.73 MAPT (0.47) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL9825123 0.72 NFE2L2 (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8494191 0.71 KMT2A (0.73) MAPTPOLBMEN1KMT2ANPC1

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-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
Send feedback