SCHEMBL7906156

SCHEMBL7906156

C=CCNC(CC)=C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
FAAH O00519 1/20 0.41
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL1489809 1.00 KMT2A (0.41) KMT2AFAAHTSHRSMN1; SMN2MAPT
SCHEMBL18579741 0.85 FAAH (0.46) KMT2AFAAHTSHRSMN1; SMN2MAPT
SCHEMBL4422420 0.85 TSHR (0.39) KMT2AFAAHTSHRSMN1; SMN2MAPT
SCHEMBL18579930 0.83 ALDH1A1 (0.41) KMT2AFAAHTSHRSMN1; SMN2MAPT
SCHEMBL11218728 0.80 SMN1; SMN2 (0.36) KMT2AFAAHTSHRSMN1; SMN2MAPT
SCHEMBL11218735 0.80 SMN1; SMN2 (0.36) KMT2AFAAHTSHRSMN1; SMN2MAPT
SCHEMBL2634811 0.77 ALDH1A1 (0.35) KMT2AFAAHALDH1A1
SCHEMBL9451088 0.77 ALDH1A1 (0.35) KMT2AFAAHALDH1A1
SCHEMBL6546205 0.74 HTT (0.30)
Acrylic Acid SCHEMBL6129258 0.74 ZDHHC20 (0.45) KMT2AALDH1A1HSD17B10

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-6197409-B1 Ink-jet media E. I. DU PONT DE NEMOURS AND COMPANY 2001-03-06 US disclosed
US-5984467-A Ink-jet media E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-11-16 US disclosed