SCHEMBL14629621

SCHEMBL14629621

CCCC(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 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL14629623 0.95 POLB (0.33) NPC1POLBCYP2C9RAB9A
SCHEMBL12340402 0.91 NPC1 (0.34) NPC1POLBCYP2C9RAB9A
SCHEMBL14629547 0.91 — —
SCHEMBL14557908 0.87 ELANE (0.34) POLB
SCHEMBL10067132 0.84 ALDH1A1 (0.34) NPC1POLBRAB9A
SCHEMBL14364634 0.81 ELANE (0.33) —
SCHEMBL12281129 0.79 NPC1 (0.31) NPC1POLBCYP2C9RAB9A
SCHEMBL14546135 0.78 ALDH1A1 (0.34) NPC1POLBRAB9A
SCHEMBL14557902 0.78 POLB (0.32) POLB
SCHEMBL14364637 0.77 — —

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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