SCHEMBL25890281

SCHEMBL25890281

CO/N=C(/c1ccc(C(F)(F)F)cc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.45
KDM2B Q8NHM5 2/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ENPP3 O14638 3/20 0.37
ENPP2 Q13822 2/20 0.37
ENPP1 P22413 2/20 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
SCHEMBL25890258 0.80 RAB9A (0.56) KDM2BRAB9AMEN1HPGDKMT2A
SCHEMBL25890252 0.80 RAB9A (0.56) KDM2BRAB9AMEN1HPGDKMT2A
SCHEMBL25890294 0.80 RAB9A (0.43) CCR5RAB9ALMNAPOLBNPC1
SCHEMBL25890263 0.80 POLB (0.42) CCR5RAB9AMEN1HPGDKMT2A
SCHEMBL15274088 0.74 SSTR4 (0.38) CCR5MEN1KMT2ALMNASMN1; SMN2
SCHEMBL25890295 0.74 SLC6A3 (0.40) CCR5RAB9ALMNANPC1CASP3
SCHEMBL15851078 0.72 RAB9A (0.40) CCR5PPARGPPARDPPARARAB9A
SCHEMBL17217538 0.72 RAB9A (0.40) CCR5PPARGPPARDPPARARAB9A
SCHEMBL25890299 0.71 F11 (0.37) CCR5RAB9ALMNANPC1CASP3
SCHEMBL391910 0.71 CYP1A2 (0.56) CCR5MEN1HPGDKMT2AALDH1A1

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
EP-3877372-B1 ENANTIOSELECTIVE REDUCTION OF OXIME-DERIVATIVES INVOLVING IRIDIUM BASED CATALYSTS SYNGENTA CROP PROTECTION AG (CH) 2023-08-02 EP disclosed