SCHEMBL30855348

SCHEMBL30855348

Cc1cc(C)c(C(=O)c2c(F)c(F)cc(F)c2F)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA4 P22748 2/20 0.47
RAPGEF4 Q8WZA2 2/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
POLB P06746 1/20 0.41
IGFBP3 P17936 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL6666412 0.82 HPGD (0.52) CA1CA2KMT2AMEN1HPGD
SCHEMBL30855345 0.76 ALDH1A1 (0.58) CA1CA2CA4KMT2AMEN1
SCHEMBL9726573 0.72 KMT2A (0.57) CA1CA2KMT2AMEN1HPGD
SCHEMBL11526534 0.72 CES2 (0.48) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL28274214 0.72 KMT2A (0.67) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL11609313 0.72 TPMT (0.54) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL16976467 0.71 KDM4E (0.39) CA1CA2RAPGEF4KMT2AMEN1
SCHEMBL17831135 0.71 KDM4E (0.48) KMT2AMEN1SMN1; SMN2POLBIGFBP3
SCHEMBL14075229 0.71 KDM4E (0.39) CA1CA2RAPGEF4KMT2AMEN1
SCHEMBL9973592 0.70 CA1 (0.48) CA1CA2CA4LMNAPOLB

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-117886685-A 1, 3-diaryl formyl benzene compound and preparation method and application thereof 浙江工业大学 2024-04-16 CN disclosed