SCHEMBL11575722

SCHEMBL11575722

Nc1ccc(-c2ccc(N)c(OCCCC(=O)O)c2)cc1OCCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 2/20 0.51
FFAR4 Q5NUL3 6/20 0.47
FFAR1 O14842 2/20 0.47
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACLY P53396 1/20 0.43
RAB9A P51151 1/20 0.43
ROCK2 O75116 1/20 0.42
GFER P55789 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL30118847 1.00 ALDH1A1 (0.51) ALDH1A1HSD17B10KDM4EKMT2AMEN1
SCHEMBL31424232 1.00 ALDH1A1 (0.51) ALDH1A1HSD17B10KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL30338172 0.98 TSHR (0.50) ALDH1A1HSD17B10KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL11574045 0.98 TSHR (0.50) ALDH1A1HSD17B10KDM4EKMT2AMEN1
SCHEMBL30118815 0.94 KDM4E (0.49) ALDH1A1HSD17B10KDM4EKMT2AMEN1
SCHEMBL31634587 0.87 TSHR (0.51) TSHRFFAR4FFAR1ACLYRAB9A
SCHEMBL8020954 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10KDM4EKMT2AMEN1
SCHEMBL4595112 0.80 HDAC2 (0.47) ALDH1A1HSD17B10KDM4EKMT2AMEN1
SCHEMBL22954879 0.80 FFAR4 (0.62) ALDH1A1HSD17B10TSHRFFAR4FFAR1
SCHEMBL2988029 0.79 CYP1A2 (0.58) ALDH1A1KMT2AMEN1MAPK1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4066408-A CHROMOGEN-REACTIVE-INDICATOR PREPARATIONS CONTAINING A 3,3'-DI(CARBONYLOXY- OR SULFONYLOXY-GROUP-CONTAINING) BENZIDINE DERIVATIVE CHROMOGEN AB KABI (SW) 1978-01-03 US claimed
US-4066408-A CHROMOGEN-REACTIVE-INDICATOR PREPARATIONS CONTAINING A 3,3'-DI(CARBONYLOXY- OR SULFONYLOXY-GROUP-CONTAINING) BENZIDINE DERIVATIVE CHROMOGEN AB KABI (SW) 1978-01-03 US disclosed
US-4008267-A ANALYZING AB KABI (SW) 1977-02-15 US disclosed