SCHEMBL8185129

SCHEMBL8185129

COc1ccc(N2CCN(C(=O)[C@@H](N)CCC(=O)O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
MAPK1 P28482 3/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 2/20 0.53
AKR1C3 P42330 1/20 0.51
LMNA P02545 1/20 0.50
GFER P55789 2/20 0.49
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49
HTR2A P28223 2/20 0.48
ADRB1 P08588 1/20 0.48
HTR2B P41595 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL8183965 0.84 MAPT (0.54) MAPK1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8185127 0.83 MAPT (0.59) L3MBTL1MAPK1MAPTHSD17B10ALDH1A1
SCHEMBL8185122 0.83 MAPT (0.59) L3MBTL1MAPK1MAPTHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL6981966 0.81 L3MBTL1 (0.56) L3MBTL1MAPK1MAPTTP53ALOX15
SCHEMBL8185140 0.79 ALDH1A1 (0.63) L3MBTL1SMN1; SMN2ALDH1A1KMT2AAKR1C3
SCHEMBL1144561 0.79 P2RY12 (0.47) MAPK1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1144558 0.79 P2RY12 (0.47) MAPK1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL8325259 0.77 L3MBTL1 (0.68) L3MBTL1MAPK1MAPTTP53ALOX15
SCHEMBL632352 0.75 L3MBTL1 (0.73) L3MBTL1MAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL21852720 0.75 L3MBTL1 (0.64) L3MBTL1MAPK1MAPTTP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136781-A NOVEL CYCLIC PENTAPEPTIDE OR SALTS EFFECTIVE AS MEDICINES FOR PREVENTING AND CURING SEX HORMONE-DEPENDENT CANCERS, PROSTATOMEGALY, ENDOMETRIOSIS, HYSTEROMYOMA, PUBERTY PRECOX, AMENORRHEAL SYNDROMES, MULTIOCULAR OVARIAN SYNDROMES, ALSO TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-24 US disclosed