SCHEMBL8470892

SCHEMBL8470892

O=C(Oc1ccc2c(c1)CCN(C(=O)Cc1ccc3ccccc3c1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MTTP P55157 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
GPR142 Q7Z601 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SYK P43405 1/20 0.38
BRS3 P32247 2/20 0.37
ROCK1 Q13464 1/20 0.37
LIPE Q05469 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR183 P32249 1/20 0.37

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 0.92 ABCB1 (0.47) ABCB1ABCC1ESR1ESR2MTTP
SCHEMBL8472959 0.87 ABCB1 (0.39) ABCB1ABCC1ESR1ESR2MTTP
SCHEMBL8470465 0.85 POLB (0.41) ABCB1ABCC1ESR1ESR2MTTP
SCHEMBL8472074 0.85 CHRNB2 (0.45) ESR1ESR2MTTPALDH1A1
SCHEMBL8582518 0.85 ESR1 (0.44) ESR1ESR2MTTPKMT2AALDH1A1
SCHEMBL8472958 0.85 SMO (0.43) ESR1ESR2RAB9AKDM4ELMNA
SCHEMBL8475640 0.85 MTTP (0.39) ABCB1ABCC1ESR1ESR2MTTP
SCHEMBL8471797 0.84 ESR1 (0.43) ESR1ESR2MTTPKMT2AALDH1A1
SCHEMBL8473577 0.84 HPGD (0.42) ESR1ESR2MTTPRAB9AALDH1A1
SCHEMBL8471317 0.84 ALDH1A1 (0.48) ESR1ESR2MTTPALDH1A1MAPT

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