SCHEMBL21169023

SCHEMBL21169023

CC(C)(C)C(=O)OCCCCOc1ccc(C(=O)Oc2ccc(B3OCCCO3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ NFKB1 P19838 3/20 0.41
▸ NFKB2 Q00653 3/20 0.41
▸ RELA Q04206 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ ACR P10323 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ TSHR P16473 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
SCHEMBL25730556 0.91 LMNA (0.42) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL24213178 0.89 LMNA (0.41) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL21169027 0.88 LMNA (0.40) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL23172978 0.88 LMNA (0.41) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL21169349 0.87 HTT (0.51) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL24297113 0.87 LMNA (0.39) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL25731389 0.87 LMNA (0.36) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL26260860 0.86 LMNA (0.42) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL24512181 0.85 LMNA (0.38) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL24293918 0.85 PRSS1 (0.41) LMNANPC1CYP1A2CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647802-B2 Polymer compound FUJIFILM CORPORATION (JP) 2020-05-12 — — US disclosed
US-20190218324-A1 POLYMER COMPOUND FUJIFILM CORPORATION (JP) 2019-07-18 — — US disclosed
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