SCHEMBL6990712

SCHEMBL6990712

COCC(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.72
POLB P06746 1/20 0.72
HCAR2 Q8TDS4 3/20 0.69
HSD17B10 Q99714 3/20 0.68
TSHR P16473 2/20 0.66
KMT2A Q03164 4/20 0.64
ALDH1A1 P00352 2/20 0.60
MAPK10 P53779 1/20 0.60
MEN1 O00255 2/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
GAA P10253 2/20 0.59
LMNA P02545 1/20 0.56
CYP2C19 P33261 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 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
SCHEMBL5928699 0.87 KMT2A (0.78) KDM4EPOLBHSD17B10TSHRKMT2A
SCHEMBL31061852 0.87 KDM4E (0.71) KDM4EPOLBHCAR2HSD17B10TSHR
SCHEMBL25811369 0.84 KDM4E (0.65) KDM4EPOLBHCAR2HSD17B10TSHR
SCHEMBL9361352 0.84 KDM4E (1.00) KDM4EPOLBHCAR2HSD17B10TSHR
SCHEMBL6998424 0.84 ALDH1A1 (0.76) KDM4EPOLBHCAR2HSD17B10TSHR
SCHEMBL20840643 0.84 KMT2A (0.60) KDM4EPOLBHCAR2KMT2AALDH1A1
SCHEMBL10634666 0.83 KDM4E (0.68) KDM4EPOLBHCAR2HSD17B10TSHR
SCHEMBL12879817 0.83 KMT2A (0.69) KDM4EPOLBHCAR2HSD17B10TSHR
SCHEMBL9365066 0.83 KDM4E (0.67) KDM4EPOLBHCAR2HSD17B10TSHR
SCHEMBL8689332 0.82 HCAR2 (1.00) KDM4EPOLBHCAR2HSD17B10TSHR

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