SCHEMBL11770419

SCHEMBL11770419

Nc1ccccc1OOc1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 8/20 0.52
HSD17B10 Q99714 7/20 0.52
HPGD P15428 5/20 0.52
ESR1 P03372 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
HMGB1 P09429 1/20 0.52
TSHR P16473 1/20 0.52
GGT1 P19440 1/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
BLM P54132 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTT P42858 2/20 0.51
MAPT P10636 3/20 0.50
MMP2 P08253 1/20 0.50
USP2 O75604 1/20 0.50
PDE3A Q14432 1/20 0.50

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
SCHEMBL29010714 0.88 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL2191708 0.85 HTT (0.62) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL7191217 0.80 ALDH1A1 (0.59) KDM4EALDH1A1HSD17B10HPGDESR1
Anthranilic Acid SCHEMBL27659170 0.79 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10HPGDHMGB1
SCHEMBL863708 0.78 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10HPGDTSHR
Anthranilic Acid SCHEMBL3110791 0.77 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10HPGDHMGB1
Anthranilic Acid SCHEMBL2953168 0.77 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10HPGDHMGB1
Anthranilic Acid SCHEMBL675 0.77 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10HPGDHMGB1
Anthranilic Acid SCHEMBL2961107 0.77 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10HPGDHMGB1
Anthranilic Acid SCHEMBL29365173 0.77 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10HPGDHMGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3996197-A Method of preparing polybenoxazindione polymers from aminophenoxy salicyclic acid compounds BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US claimed
US-3996197-A Method of preparing polybenoxazindione polymers from aminophenoxy salicyclic acid compounds BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed