SCHEMBL11433779

SCHEMBL11433779

CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP19A1 P11511 1/20 0.40
▸ CYP17A1 P05093 4/20 0.40
▸ CYP3A4 P08684 7/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ CYP3A5 P20815 1/20 0.38
▸ CCR6 P51684 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ SCN10A Q9Y5Y9 2/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL11433669 0.90 NPC1 (0.40) NPC1RAB9AL3MBTL1CYP19A1CYP17A1
SCHEMBL11442557 0.82 NPC1 (0.50) NPC1RAB9AL3MBTL1CYP19A1ABL1
SCHEMBL11439287 0.82 NPC1 (0.47) NPC1RAB9AL3MBTL1CYP19A1CYP3A4
SCHEMBL11431939 0.80 CYP3A4 (0.57) NPC1RAB9ACYP17A1CYP3A4ABL1
SCHEMBL7189416 0.78 CYP3A4 (0.42) CYP19A1CYP17A1CYP3A4ABL1CYP3A5
SCHEMBL69378 0.78 CYP3A4 (0.42) CYP19A1CYP17A1CYP3A4ABL1CYP3A5
SCHEMBL11096842 0.77 NPC1 (0.43) NPC1RAB9AL3MBTL1CYP3A4ABL1
SCHEMBL17172165 0.75 ABL1 (0.36) NPC1RAB9AL3MBTL1CYP17A1CYP3A4
SCHEMBL17157354 0.75 CYP3A4 (0.43) CYP17A1CYP3A4ABL1SCN10A
SCHEMBL11441820 0.74 NPC1 (0.43) NPC1RAB9AL3MBTL1CYP19A1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4194899-A HERBICIDES, FUNGICIDES, PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1980-03-25 — — US claimed
US-4194899-A HERBICIDES, FUNGICIDES, PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1980-03-25 — — US disclosed
US-4110099-A INHIBITOR FOR INTERNODEL GROWTH OF PLANTS ELI LILLY AND COMPANY (US) 1978-08-29 — — US disclosed
US-RE29367-E HERBICIDES, FUNGICIDES, 5-PYRIMIDINYL ELI LILLY AND COMPANY (US) 1977-08-23 — — US disclosed
US-4002628-A HERBICIDES, PLANT FUNGICIDES, PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1977-01-11 — — US disclosed
US-3967949-A Fluoroalkoxyphenyl-substituted nitrogen heterocycles as plant stunting agents ELI LILLY AND COMPANY (US) 1976-07-06 — — US disclosed
Send feedback