SCHEMBL14629623

SCHEMBL14629623

CCC(C)(CC)Oc1ccc(C(C)(c2ccc(Oc3ccc(C(=O)c4cccc(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)c2ccc(Oc3ccc(C(=O)c4ccc(C(C)(CC)CC)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ DUSP3 P51452 1/20 0.30
▸ PTPN5 P54829 1/20 0.30
▸ PTPN11 Q06124 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ CTDSP1 Q9GZU7 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL14629621 0.95 NPC1 (0.32) POLBNPC1CYP2C9RAB9A
SCHEMBL12340402 0.91 NPC1 (0.34) POLBNPC1CYP2C9RAB9A
SCHEMBL10067132 0.89 ALDH1A1 (0.34) POLBNPC1RAB9ALMNAHTT
SCHEMBL14629547 0.86 — —
SCHEMBL12281129 0.84 NPC1 (0.31) POLBNPC1CYP2C9RAB9ASMN1; SMN2
SCHEMBL14546135 0.81 ALDH1A1 (0.34) POLBNPC1RAB9ALMNAHTT
SCHEMBL13181493 0.81 CASP1 (0.36) POLBNPC1CYP2C9RAB9ALMNA
SCHEMBL14557995 0.81 ELANE (0.36) CYP2C9LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL14364638 0.81 PPARG (0.32) LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL14557908 0.81 ELANE (0.34) POLBLMNAHTTSMN1; SMN2KDM4E

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-20070004900-A1 Triblock copolymers with acidic groups GM GLOBAL TECHNOLOGY OPERATIONS, INC. (US) 2007-01-04 — — US disclosed
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