SCHEMBL27570623

SCHEMBL27570623

O=CCCCCCC(=O)Oc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TBXAS1 P24557 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
SCHEMBL27568202 0.83 KMT2A (0.44) KMT2AALDH1A1MEN1PRSS1PRSS2
SCHEMBL16472170 0.82 PRSS1 (0.57) KMT2AALDH1A1MEN1HPGDPRSS1
SCHEMBL27517014 0.82 KMT2A (0.45) KMT2AALDH1A1MEN1PRSS1PRSS2
SCHEMBL7275147 0.81 KMT2A (0.57) KMT2AALDH1A1MEN1HPGDPRSS1
SCHEMBL6957498 0.80 ALDH1A1 (0.49) KMT2AALDH1A1MEN1HPGDESR1
SCHEMBL10711104 0.80 KMT2A (0.49) KMT2AALDH1A1MEN1HPGDMAPK1
SCHEMBL3781760 0.78 CYP3A4 (0.50) KMT2APRSS1PRSS2PRSS3ESR1
SCHEMBL7970809 0.78 HPGD (0.45) KMT2AALDH1A1MEN1HPGDESR1
SCHEMBL863991 0.78 MAOB (0.46) PRSS1FFAR1FFAR4
SCHEMBL27498672 0.77 F2 (0.48) KMT2AALDH1A1MEN1SMN1; SMN2EGFR

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
CN-1391556-A novel IL-8 receptor antagonists FOURNIER IND & SANTE (FR) 2003-01-15 CN disclosed