SCHEMBL28069712

SCHEMBL28069712

COc1ccc(N(Cc2ccccc2)C(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 1/20 0.45
▸ TSHR P16473 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 1/20 0.39
▸ TSPO P30536 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RNF4 P78317 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL6298094 0.93 FABP5 (0.42) FABP5TSHRALDH1A1KDM4EMEN1
SCHEMBL4784032 0.93 FABP5 (0.41) FABP5TSHRALDH1A1KDM4EMEN1
SCHEMBL208874 0.93 FABP5 (0.41) FABP5TSHRALDH1A1KDM4EMEN1
SCHEMBL1526171 0.92 FABP5 (0.40) FABP5TSHRALDH1A1KDM4EMEN1
SCHEMBL5372417 0.91 FABP5 (0.39) FABP5TSHRALDH1A1KDM4EMEN1
SCHEMBL5670740 0.90 FABP5 (0.39) FABP5TSHRALDH1A1KDM4EMEN1
SCHEMBL2637405 0.89 FABP5 (0.39) FABP5MEN1KMT2ATSPO
SCHEMBL3433024 0.89 HSD17B10 (0.39) FABP5TSHRALDH1A1MEN1KMT2A
SCHEMBL3805522 0.87 BMP1 (0.37) FABP5TSHRALDH1A1MEN1KMT2A
SCHEMBL1128931 0.87 FABP5 (0.41) FABP5TSHRALDH1A1KDM4EMEN1

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-103003301-B Serum albumin binding molecules 百时美施贵宝公司 2016-09-21 — — CN disclosed
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