SCHEMBL6444189

SCHEMBL6444189

CC(=O)Nc1cccc(C(=O)OC(C)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
ALDH1A1 P00352 4/20 0.54
CYP1A2 P05177 1/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 1/20 0.54
NR4A1 P22736 1/20 0.54
NPC1 O15118 3/20 0.54
TP53 P04637 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL863169 0.86 RAB9A (0.71) RAB9AALDH1A1CYP1A2POLBNPC1
SCHEMBL474709 0.82 KMT2A (0.70) RAB9AALDH1A1CYP1A2HSD17B10POLB
SCHEMBL123941 0.82 TDP1 (0.44) RAB9AALDH1A1POLBLMNAMAPT
SCHEMBL7808621 0.81 SMN1; SMN2 (0.70) RAB9AALDH1A1CYP1A2HSD17B10POLB
SCHEMBL758991 0.79 MEN1 (0.62) RAB9AALDH1A1CYP1A2HSD17B10NPC1
SCHEMBL31022695 0.79 MEN1 (0.62) RAB9AALDH1A1CYP1A2HSD17B10NPC1
SCHEMBL27264246 0.79 TSHR (0.55) RAB9AALDH1A1POLBNPC1TP53
SCHEMBL16068453 0.78 RAB9A (0.75) RAB9AALDH1A1HSD17B10POLBNPC1
SCHEMBL6686241 0.78 RAB9A (0.70) RAB9AALDH1A1CYP1A2HSD17B10POLB
SCHEMBL1901172 0.78 ALDH1A1 (0.76) RAB9AALDH1A1CYP1A2HSD17B10POLB

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
EP-1215216-B1 Cellulose ester of aromatic carboxylic acid FUJI PHOTO FILM CO LTD (JP) 2005-07-27 EP disclosed
EP-1215216-A1 Cellulose ester of aromatic carboxylic acid FUJI PHOTO FILM CO., LTD. (JP) 2002-06-19 EP disclosed