SCHEMBL10900702

SCHEMBL10900702

CC(C)C(O)(c1ccc(OC(F)(F)C(F)F)cc1)c1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.41
▸ CYP3A4 P08684 9/20 0.40
▸ CYP17A1 P05093 7/20 0.40
▸ CYP3A5 P20815 1/20 0.37
▸ CYP19A1 P11511 5/20 0.36
▸ ABL1 P00519 1/20 0.33

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
SCHEMBL69378 0.89 CYP3A4 (0.42) CYP3A4CYP17A1CYP3A5CYP19A1ABL1
SCHEMBL7189416 0.89 CYP3A4 (0.42) CYP3A4CYP17A1CYP3A5CYP19A1ABL1
SCHEMBL10895463 0.86 CYP3A4 (0.40) CYP3A4CYP17A1CYP3A5CYP19A1
SCHEMBL11433669 0.79 NPC1 (0.40) TRPV1CYP3A4CYP17A1CYP3A5CYP19A1
SCHEMBL11445510 0.78 CYP19A1 (0.64) TRPV1CYP3A4CYP3A5CYP19A1
SCHEMBL28993690 0.77 CCR6 (0.35) CYP3A4CYP17A1CYP3A5CYP19A1ABL1
SCHEMBL15686089 0.76 CYP19A1 (0.62) CYP3A4CYP17A1CYP19A1
SCHEMBL28605047 0.75 ABL1 (0.34) TRPV1CYP3A4CYP17A1CYP19A1ABL1
SCHEMBL14234750 0.74 CYP19A1 (0.38) CYP3A4CYP17A1CYP19A1ABL1
SCHEMBL125811 0.74 CYP19A1 (0.61) CYP3A4CYP17A1CYP3A5CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4002628-A HERBICIDES, PLANT FUNGICIDES, PLANT GROWTH REGULATORS ELI LILLY AND COMPANY (US) 1977-01-11 — — US claimed
EP-0088631-B1 PLANT GROWTH REGULATION METHOD AND COMPOSITION Lilly Industries Limited (GB) 1986-03-05 — — EP disclosed
EP-0088631-A1 Plant growth regulation method and composition Lilly Industries Limited (GB) 1983-09-14 — — EP disclosed
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