SCHEMBL9800249

SCHEMBL9800249

O=C(O)CCCC(=O)NCCc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(CCNC(=O)CCCC(=O)O)c2F)c1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL9800100 0.89 MTNR1A (0.41) MEN1KMT2A
SCHEMBL2834282 0.86 MTNR1A (0.35)
SCHEMBL9800073 0.82 RECQL (0.39) SMN1; SMN2KMT2A
SCHEMBL9800195 0.82 MTNR1A (0.31)
SCHEMBL9800152 0.81 MTNR1A (0.35)
SCHEMBL9800226 0.81
SCHEMBL2834383 0.78 NPC1 (0.43) SMN1; SMN2LMNAHDAC3HDAC4HDAC1
SCHEMBL9800066 0.78 MEN1 (0.38) MEN1ALDH1A1KMT2A
SCHEMBL2837791 0.78 ALDH1A1 (0.35) SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL9800168 0.77 LMNA (0.37) LMNATSHRALDH1A1KMT2A

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-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 US disclosed