SCHEMBL8475640

SCHEMBL8475640

O=C(Oc1ccc2c(c1)CCN(C(=O)CC1=CCCC1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTTP P55157 9/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KLRK1 P26718 2/20 0.38
MICA Q29983 2/20 0.38
RAET1L Q5VY80 2/20 0.38
LIPE Q05469 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 2/20 0.36
ABCC1 P33527 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8474716 0.86 ABCB1 (0.47) MTTPESR1ESR2LIPEL3MBTL1
SCHEMBL8470465 0.85 POLB (0.41) MTTPESR1ESR2LIPEL3MBTL1
SCHEMBL8470892 0.85 ABCB1 (0.42) MTTPESR1ESR2LIPEL3MBTL1
SCHEMBL8582518 0.84 ESR1 (0.44) MTTPESR1ESR2LIPEL3MBTL1
SCHEMBL8472958 0.84 SMO (0.43) ESR1ESR2LIPEL3MBTL1KDM4E
SCHEMBL6975568 0.84 MTTP (0.51) MTTPKDM4EALDH1A1LMNA
SCHEMBL8473577 0.84 HPGD (0.42) MTTPESR1ESR2LIPEL3MBTL1
SCHEMBL8471797 0.84 ESR1 (0.43) MTTPESR1ESR2KLRK1MICA
SCHEMBL8472959 0.83 ABCB1 (0.39) MTTPESR1ESR2LIPEL3MBTL1
SCHEMBL8473453 0.83 ALDH1A1 (0.41) MTTPESR1ESR2KLRK1MICA

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-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 US disclosed