SCHEMBL11433151

SCHEMBL11433151

CC(C)C(O)(c1cncnc1)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.37
▸ USP36 Q9P275 1/20 0.37
▸ GPR183 P32249 2/20 0.36
▸ PDE2A O00408 2/20 0.36
▸ CYP17A1 P05093 3/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CYP19A1 P11511 7/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL11433927 0.84 KIF11 (0.34) CYP3A4CYP17A1CYP2C9CYP2C19CYP19A1
SCHEMBL11439081 0.73 CNR1 (0.36) GPR183PDE2ACYP19A1
SCHEMBL11445417 0.73 CYP19A1 (0.60) USP36GPR183PDE2ACYP17A1CYP19A1
SCHEMBL11727418 0.71 CYP19A1 (0.40) CYP3A4PDE2ACYP19A1
SCHEMBL15686089 0.70 CYP19A1 (0.62) CYP3A4CYP17A1CYP19A1
SCHEMBL125811 0.69 CYP19A1 (0.61) CYP3A4CYP17A1CYP19A1
SCHEMBL2662891 0.68 PDE2A (0.43) GPR183PDE2A
SCHEMBL11445538 0.68 CYP19A1 (0.44) GPR183PDE2ACYP17A1CYP19A1
SCHEMBL14234750 0.67 CYP19A1 (0.38) CYP3A4CYP17A1CYP19A1
SCHEMBL69378 0.67 CYP3A4 (0.42) CYP3A4CYP17A1CYP19A1

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-3967949-A Fluoroalkoxyphenyl-substituted nitrogen heterocycles as plant stunting agents ELI LILLY AND COMPANY (US) 1976-07-06 — — 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
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