SCHEMBL10799503

SCHEMBL10799503

CC(C)c1ccc(N)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
THRB P10828 2/20 0.55
RECQL P46063 2/20 0.55
CYP3A4 P08684 2/20 0.55
MCL1 Q07820 2/20 0.55
USP2 O75604 1/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
APEX1 P27695 1/20 0.55
BLM P54132 1/20 0.55
TNF P01375 1/20 0.55
HSPD1 P10809 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL5925579 0.85 KDM4E (0.55) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL13574288 0.80 ALOX5 (0.41) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL21123646 0.80 GAA (0.57) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL10172892 0.80 CSNK2A1 (0.59) ACE2
SCHEMBL17707907 0.78 FABP3 (0.52) MEN1KMT2ATDP1RECQLMCL1
SCHEMBL11805203 0.78 CA12 (0.55) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL1355684 0.78 ACE2 (0.67) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL24680076 0.77 KDM4E (0.53) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL17465967 0.77 KEAP1 (0.53) RECQLACE2FABP3FABP4
SCHEMBL17465965 0.77 ALDH1A1 (0.57) MEN1KMT2AALDH1A1KDM4ECASP1

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-4642240-A LOW CALORIE SWEETENERS GENERAL FOODS CORPORATION (US) 1987-02-10 US disclosed