SCHEMBL9555697

SCHEMBL9555697

O=P(Cl)(OCCBr)OCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 3/20 0.38
HCAR2 Q8TDS4 1/20 0.36
IDO1 P14902 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR1 O14842 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ANPEP P15144 1/20 0.34
ERAP1 Q9NZ08 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
SCHEMBL9555706 0.91 CA1 (0.46) TDP1CA1CA2CA9L3MBTL1
SCHEMBL9555702 0.90 L3MBTL1 (0.43) TDP1CA1CA2CA9L3MBTL1
SCHEMBL7384000 0.84 TSHR (0.52) TDP1CA1CA2CA9L3MBTL1
SCHEMBL9555700 0.83 TDP1 (0.42) TDP1CA1CA2CA9L3MBTL1
SCHEMBL7265454 0.83 NPSR1 (0.43) TDP1CA1CA2CA9L3MBTL1
SCHEMBL7377074 0.80 L3MBTL1 (0.56) L3MBTL1PKMTSHRIDO1NPC1
SCHEMBL28209116 0.80 CA1 (0.46) TDP1CA1CA2CA9L3MBTL1
SCHEMBL9179785 0.77 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL2817045 0.75 CA1 (0.48) TDP1CA1CA2CA9L3MBTL1
SCHEMBL7271516 0.75 HTR2A (0.49) L3MBTL1TSHR

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-5189023-A Hypotensive agent AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed