SCHEMBL8218259

SCHEMBL8218259

CCc1ccc(I)c(C(=O)O)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.41
ALDH1A1 P00352 1/20 0.35
DHODH Q02127 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
KAT6A Q92794 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 1/20 0.33

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
SCHEMBL7799718 0.82 METAP2 (0.39) METAP2ALDH1A1HCAR2KAT6AMEN1
SCHEMBL423355 0.78 MEN1 (0.41) METAP2MEN1KMT2ASMN1; SMN2
SCHEMBL6418751 0.78 CES2 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22980390 0.76 DPP4 (0.47) ALDH1A1
SCHEMBL9723219 0.74 GABRA1 (0.32)
SCHEMBL16936690 0.74 GPR17 (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL30277141 0.74 GPR17 (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL11334922 0.74 GABRA1 (0.45) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL24908622 0.74 RIPK1 (0.41) METAP2ALDH1A1HCAR2MEN1KMT2A
SCHEMBL9955505 0.74 CA12 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2

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-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 US disclosed