SCHEMBL10477451

SCHEMBL10477451

CC(=O)N/C(=C\c1c(C)cccc1C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
CXCR5 P32302 3/20 0.36
RECQL P46063 1/20 0.35
AKR1C3 P42330 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3871770 0.81 EPHX1 (0.41) EPHX1MEN1KMT2AALDH1A1HPGD
SCHEMBL3871772 0.81 EPHX1 (0.41) EPHX1MEN1KMT2AALDH1A1HPGD
SCHEMBL187942 0.81 EPHX1 (0.41) EPHX1MEN1KMT2AALDH1A1HPGD
SCHEMBL10477436 0.78 HPGD (0.40) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL10477373 0.78 HPGD (0.40) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL786716 0.77 AKR1C3 (0.57) MEN1KMT2AALDH1A1RECQLAKR1C3
SCHEMBL388143 0.77 AKR1C3 (0.57) MEN1KMT2AALDH1A1RECQLAKR1C3
SCHEMBL388142 0.77 AKR1C3 (0.57) MEN1KMT2AALDH1A1RECQLAKR1C3
SCHEMBL9283066 0.76 AKR1C3 (0.55) ALDH1A1HPGDCXCR5AKR1C3HTT
SCHEMBL9283069 0.76 AKR1C3 (0.55) ALDH1A1HPGDCXCR5AKR1C3HTT

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-4879398-A Process for producing 2,6-disubstituted tyrosine MONSANTO COMPANY (US) 1989-11-07 US disclosed