SCHEMBL7271971

SCHEMBL7271971

CC(C)(C)c1cc(CC(Br)C(=O)O)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.44
ALOX15 P16050 7/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 5/20 0.43
NR1I2 O75469 2/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
MIF P14174 1/20 0.43
TYR P14679 1/20 0.43
HTT P42858 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KDM4E B2RXH2 5/20 0.43
RECQL P46063 4/20 0.43
USP2 O75604 3/20 0.43
PTGS2 P35354 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
HIF1A Q16665 3/20 0.43
EGFR P00533 2/20 0.43
FYN P06241 2/20 0.43
ADORA3 P0DMS8 2/20 0.43

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
SCHEMBL30891619 0.83 KDM6B (0.45) KDM6BALOX15ALDH1A1HSD17B10NR1I2
SCHEMBL9845237 0.83 KDM6B (0.45) KDM6BALOX15ALDH1A1HSD17B10NR1I2
SCHEMBL29185563 0.83 HMGCR (0.52) ALOX15ALDH1A1LMNACYP2C9TYR
SCHEMBL7892985 0.82 SLC7A5 (0.67) ALOX15ALDH1A1HSD17B10NR1I2LMNA
SCHEMBL14856009 0.82 SLC7A5 (0.67) ALOX15ALDH1A1HSD17B10NR1I2LMNA
SCHEMBL10656842 0.82 SLC7A5 (0.67) ALOX15ALDH1A1HSD17B10NR1I2LMNA
SCHEMBL29809967 0.82 SLC7A5 (0.67) ALOX15ALDH1A1HSD17B10NR1I2LMNA
Hydrochloric Acid SCHEMBL7257759 0.81 SLC7A5 (0.65) ALOX15HSD17B10NR1I2TYRKDM4E
SCHEMBL18040263 0.81 KDM6B (0.43) KDM6BALOX15ALDH1A1HSD17B10NR1I2
SCHEMBL28170347 0.81 GAA (0.49) KDM6BALOX15ALDH1A1HSD17B10NR1I2

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
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed