SCHEMBL6544273

SCHEMBL6544273

C/C(C(=O)O)=C(/C)c1ccccc1N(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TP53 P04637 4/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NR4A2 P43354 1/20 0.35
RXRG P48443 1/20 0.35
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL31179917 0.82 ALDH1A1 (0.44) ALDH1A1TP53TSHRGAAMAPT
SCHEMBL1227194 0.77 ALDH1A1 (0.54) ALDH1A1TP53TSHRGAAMAPT
SCHEMBL28041828 0.76 ALDH1A1 (0.39) ALDH1A1TP53TSHRGAAMAPT
SCHEMBL29012584 0.75 MAPT (0.47) ALDH1A1TP53TSHRGAAMAPT
SCHEMBL7093772 0.74 BCAT2 (0.47) ALDH1A1TP53TSHRGAAMAPT
SCHEMBL3070118 0.74 KMT2A (0.57) ALDH1A1TSHRGAAMAPTPOLB
SCHEMBL13587852 0.74 ALDH1A1 (0.54) ALDH1A1TP53TSHRGAAMAPT
SCHEMBL21808781 0.73 AKR1C3 (0.53) ALDH1A1TP53TSHRGAAMAPT
SCHEMBL5542486 0.72 ERCC5 (0.52) ALDH1A1TSHRGAASMN1; SMN2ALOX15
SCHEMBL11827710 0.72 HPGD (0.56) ALDH1A1TP53TSHRGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828685-B2 Memory device having a semiconducting polymer film HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2004-12-07 US claimed
US-6828685-B2 Memory device having a semiconducting polymer film HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2004-12-07 US disclosed