SCHEMBL8180319

SCHEMBL8180319

C=C(I)c1cccc(OCOC)c1-c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ GRK5 P34947 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAP2K2 P36507 1/20 0.36
▸ MAPK8 P45983 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
SCHEMBL7931850 0.73 NFE2L2 (0.37) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL7931856 0.73 NFE2L2 (0.37) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL7935210 0.72 SMN1; SMN2 (0.40) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL8167944 0.70 FYN (0.39) FYNSMN1; SMN2HPGDKMT2AEGFR
SCHEMBL1607613 0.69 EGFR (0.44) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL6934710 0.67 SYK (0.48) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL9325967 0.67 MAPT (0.50) L3MBTL1SMN1; SMN2LMNAHPGDHTT
SCHEMBL7643473 0.66 LMNA (0.42) PTPN1L3MBTL1SMN1; SMN2LMNAHPGD
SCHEMBL2047965 0.65 LMNA (0.38) PTPN1SMN1; SMN2LMNAHPGDHTT
SCHEMBL4988220 0.65 FABP3 (0.57) ATML3MBTL1SMN1; SMN2HPGDHTT

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
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