SCHEMBL17354597

SCHEMBL17354597

CC1CCc2c(cc(-c3ccc(Cl)c(Cl)c3)n2-c2ccc(C(=O)O)o2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
TP53 P04637 5/20 0.43
THRB P10828 2/20 0.42
LMNA P02545 6/20 0.41
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RPA1 P27694 4/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 1/20 0.35
AHR P35869 1/20 0.35
POLB P06746 1/20 0.34
PPP1CA P62136 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL17354602 0.92 S1PR1 (0.36) MAPTTP53THRBLMNAS1PR1
SCHEMBL3105744 0.88 S1PR1 (0.35) MAPTTP53THRBS1PR1S1PR5
SCHEMBL2993582 0.87 MAPT (0.56) MAPTTP53THRBLMNAAHR
SCHEMBL3087582 0.86 S1PR1 (0.35) MAPTTP53S1PR1S1PR5KDM4E
SCHEMBL3234274 0.85 S1PR1 (0.35) MAPTTP53THRBLMNAS1PR1
SCHEMBL17354600 0.83 MAPT (0.46) MAPTTP53THRBLMNAPOLB
SCHEMBL2990698 0.80 S1PR1 (0.35) S1PR1S1PR5KDM4ERPA1EGFR
SCHEMBL2996991 0.79 MAPT (0.46) MAPTTP53THRBLMNAAHR
SCHEMBL17689823 0.75 KDM4E (0.33) MAPTLMNAS1PR1S1PR5KDM4E
SCHEMBL2996489 0.74 RPA1 (0.34) MAPTLMNAS1PR1S1PR5KDM4E

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-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed