SCHEMBL8991883

SCHEMBL8991883

Cc1ccccc1CNCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
CHRM2 P08172 1/20 0.53
HTT P42858 3/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 3/20 0.48
LMNA P02545 3/20 0.48
ITGB3 P05106 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA5 P08648 1/20 0.47
AKR1B1 P15121 1/20 0.47
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL4294535 0.86 KDM4C (0.48) ALDH1A1HPGDHTTGAAITGB3
SCHEMBL3210618 0.86 CHRM2 (0.59) ALDH1A1HPGDCHRM2HTTKMT2A
Propionic Acid SCHEMBL11651928 0.85 HPGD (0.57) ALDH1A1HPGDCHRM2HTTKMT2A
Acetic Acid SCHEMBL5467302 0.85 HPGD (0.61) ALDH1A1HPGDCHRM2HTTKMT2A
SCHEMBL8991903 0.83 ALDH1A1 (0.44) ALDH1A1HPGDHTTKMT2AMEN1
SCHEMBL20993959 0.83 HTT (0.43) ALDH1A1HPGDHTTKMT2AGAA
Hydrochloric Acid SCHEMBL8891860 0.82 CHRM2 (0.63) ALDH1A1HPGDCHRM2HTTKMT2A
Hydrochloric Acid SCHEMBL8303604 0.81 HPGD (0.49) ALDH1A1HPGDCHRM2HTTKMT2A
SCHEMBL40401 0.80 CHRM2 (0.69) ALDH1A1HPGDCHRM2HTTKMT2A
SCHEMBL2875329 0.79 TSHR (0.67) KDM4EAKR1B1

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-5527882-A BRADYKININ THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-06-18 US disclosed