SCHEMBL6998424

SCHEMBL6998424

CC(=O)OCC(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
HSD17B10 Q99714 4/20 0.76
KDM4E B2RXH2 3/20 0.68
POLB P06746 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HCAR2 Q8TDS4 3/20 0.62
KMT2A Q03164 4/20 0.60
MEN1 O00255 2/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
LMNA P02545 1/20 0.54
TSHR P16473 2/20 0.54
MAPK10 P53779 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 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
SCHEMBL5928599 0.86 ALDH1A1 (1.00) ALDH1A1HSD17B10KDM4EPOLBSMN1; SMN2
SCHEMBL6990712 0.84 KDM4E (0.72) ALDH1A1HSD17B10KDM4EPOLBHCAR2
SCHEMBL9361352 0.81 KDM4E (1.00) ALDH1A1HSD17B10KDM4EPOLBSMN1; SMN2
SCHEMBL28756536 0.81 SMN1; SMN2 (1.00) ALDH1A1HSD17B10SMN1; SMN2LMNAMAPT
SCHEMBL10634666 0.81 KDM4E (0.68) ALDH1A1HSD17B10KDM4EPOLBSMN1; SMN2
SCHEMBL252897 0.80 KMT2A (0.73) ALDH1A1KDM4EPOLBSMN1; SMN2HCAR2
SCHEMBL29437944 0.80 KMT2A (0.73) ALDH1A1KDM4EPOLBSMN1; SMN2HCAR2
SCHEMBL9365066 0.80 KDM4E (0.67) ALDH1A1HSD17B10KDM4EPOLBSMN1; SMN2
SCHEMBL10501327 0.79 KMT2A (0.83) ALDH1A1KDM4EPOLBSMN1; SMN2HCAR2
SCHEMBL10694565 0.79 SMN1; SMN2 (0.69) ALDH1A1HSD17B10POLBSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980374-B1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PFIZER HOLDING FRANCE (FR) 2003-02-12 EP disclosed
US-6239130-B1 ASTHMA, ATOPIC DERMATITIS, RHEUMATOID ARTHRITIS, INFLAMMATORY BOWEL DISORDERS, PULMONARY HYPERTENSION, LIVER INJURY, BONE LOSS, SEPTIC SHOCK, OR MULTIPLE SCLEROSIS, WARNER-LAMBERT COMPANY 2001-05-29 US disclosed
EP-0980374-A1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PARKE-DAVIS (FR) 2000-02-23 EP disclosed
WO-1998049169-A1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PARKE-DAVIS (FR) 1998-11-05 WO disclosed