SCHEMBL7962763

SCHEMBL7962763

CCC(Oc1cccc2c1CCC(Br)C2=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP19A1 P11511 2/20 0.40
PPARA Q07869 6/20 0.40
PPARG P37231 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
LTB4R Q15722 1/20 0.36
ACHE P22303 1/20 0.34
PPARD Q03181 1/20 0.34
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
FABP4 P15090 1/20 0.32
MTNR1A P48039 1/20 0.32

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
SCHEMBL7976476 0.89 PPARA (0.42) LMNAKDM4EPOLBMAPTCYP19A1
SCHEMBL7972678 0.80 ALDH1A1 (0.45) KDM4EPPARAPPARGSMN1; SMN2LTB4R
SCHEMBL7976460 0.78 PPARA (0.39) LMNAMAPTCYP19A1PPARAPPARG
SCHEMBL7974197 0.78 MRGPRX4 (0.51) PPARAPPARGSMN1; SMN2LTB4RALDH1A1
SCHEMBL7526340 0.77 DDB1 (0.44) LMNAKDM4EPOLBMAPTCYP19A1
SCHEMBL6957074 0.76 MAPT (0.59) LMNAKDM4EPOLBMAPTCYP19A1
SCHEMBL7962749 0.75 SMN1; SMN2 (0.48) CYP19A1PPARAPPARGSMN1; SMN2MEN1
SCHEMBL7962734 0.75 SMN1; SMN2 (0.48) CYP19A1PPARAPPARGSMN1; SMN2ACHE
SCHEMBL7974327 0.75 PPARA (0.42) LMNAMAPTPPARAPPARGSMN1; SMN2
SCHEMBL7665918 0.74 LMNA (0.49) LMNAKDM4EPOLBMAPTCYP19A1

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-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed