SCHEMBL18210849

SCHEMBL18210849

Cc1cc(C)cc(COc2cc(OCc3cc(C)cc(C)c3)cc(C(=O)OCCOC(=O)c3ccc(C(=O)OCCOC(=O)c4ccc(C(=O)OCCO)cc4)cc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.52
▸ MAOB P27338 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ ESR2 Q92731 1/20 0.39

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
SCHEMBL13498486 0.95 PARP10 (0.50) PARP10MAOBSMN1; SMN2MEN1KMT2A
SCHEMBL13498484 0.90 ALDH1A1 (0.52) PARP10SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13498485 0.78 PARP10 (0.55) PARP10MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL27880093 0.77 CNR1 (0.50) TDP1L3MBTL1ESR1
SCHEMBL1614890 0.74 TDP1 (0.55) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL14107663 0.74 SERPINE1 (0.47) TDP1ESR1
SCHEMBL14038141 0.74 CA12 (0.53) PARP10MAOBSMN1; SMN2MAPTMEN1
SCHEMBL19235060 0.73 TDP1 (0.54) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL26453328 0.73 TDP1 (0.54) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL13292517 0.73 TDP1 (0.54) SMN1; SMN2NPC1RAB9AMAPTMEN1

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-9487631-B2 Surface active polymeric systems UNIVERSITY OF DURHAM (GB) 2016-11-08 — — US disclosed
Send feedback