SCHEMBL7684412

SCHEMBL7684412

COc1ccc2[nH]c(C(=O)OCc3ccccc3)cc2c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
PTBP1 P26599 1/20 0.48
SRD5A2 P31213 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SRD5A1 P18405 1/20 0.46
MMP2 P08253 4/20 0.46
MMP9 P14780 4/20 0.46
MMP12 P39900 4/20 0.46
MMP1 P03956 3/20 0.46
KDM4E B2RXH2 1/20 0.45
BLM P54132 1/20 0.45
IDO1 P14902 1/20 0.44

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
SCHEMBL7688230 0.85 POLB (0.63) MEN1KMT2APOLBSRD5A2RAB9A
SCHEMBL6597064 0.85 SRD5A2 (0.52) MEN1KMT2APOLBMAPTLMNA
SCHEMBL700701 0.84 HPGD (0.56) MEN1KMT2APOLBMAPTLMNA
SCHEMBL6704768 0.83 KMT2A (0.49) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL5564109 0.81 KMT2A (0.57) MEN1KMT2APOLBMAPTLMNA
SCHEMBL6240318 0.79 KDM4E (0.60) MEN1KMT2APOLBMAPTLMNA
SCHEMBL30403281 0.79 KDM4E (0.60) MEN1KMT2APOLBMAPTLMNA
SCHEMBL28265787 0.78 KMT2A (0.52) MEN1KMT2APOLBMAPTLMNA
SCHEMBL22939217 0.78 ALDH1A1 (0.63) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6804626 0.75 SRD5A2 (0.55) MEN1KMT2AMAPTLMNASMN1; SMN2

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-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed
CN-1276790-A Carboxamidothiazole derivs., preparation, pharmaceutical composition contg. them SANOFI SA (FR) 2000-12-13 CN disclosed