SCHEMBL8470465

SCHEMBL8470465

O=C(Oc1ccc2c(c1)CCN(C(=O)Cc1cccs1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
GFER P55789 1/20 0.37
PKM P14618 2/20 0.37
GAA P10253 1/20 0.37
LIPE Q05469 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CASP6 P55212 1/20 0.37
MTTP P55157 4/20 0.37
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL8472959 0.87 ABCB1 (0.39) POLBESR1ESR2NPC1RAB9A
SCHEMBL8474716 0.87 ABCB1 (0.47) ESR1ESR2NPC1RAB9ALIPE
SCHEMBL8470892 0.85 ABCB1 (0.42) ESR1ESR2NPC1RAB9AALDH1A1
SCHEMBL8582518 0.85 ESR1 (0.44) ESR1ESR2ALDH1A1LMNASMN1; SMN2
SCHEMBL8475640 0.85 MTTP (0.39) ESR1ESR2ALDH1A1LMNASMN1; SMN2
SCHEMBL8472958 0.85 SMO (0.43) ESR1ESR2RAB9ALMNALIPE
SCHEMBL8473577 0.84 HPGD (0.42) POLBESR1ESR2RAB9AALDH1A1
SCHEMBL8471797 0.84 ESR1 (0.43) ESR1ESR2ALDH1A1LMNALIPE
SCHEMBL6969388 0.84 MTTP (0.51) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8472074 0.84 CHRNB2 (0.45) ESR1ESR2ALDH1A1SMN1; SMN2GAA

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