SCHEMBL11437613

SCHEMBL11437613

OC(c1ccc(OC(F)(F)C(F)F)cc1)(c1cccnc1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.51
▸ CYP3A4 P08684 4/20 0.41
▸ CYP3A5 P20815 4/20 0.41
▸ KCNH2 Q12809 4/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ NPY2R P49146 1/20 0.39
▸ KCNA5 P22460 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CETP P11597 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
Bromide SCHEMBL11731087 0.95 CYP19A1 (0.46) CYP19A1CYP3A4CYP3A5KCNH2CCR6
SCHEMBL11433294 0.94 CYP19A1 (0.45) CYP19A1CYP3A4CYP3A5KCNH2CCR6
SCHEMBL11725562 0.90 CYP19A1 (0.54) CYP19A1CYP3A4CYP3A5KCNH2CCR6
SCHEMBL11439074 0.87 CYP19A1 (0.67) CYP19A1KCNH2CCR6NPY2RCETP
SCHEMBL11729827 0.86 CYP19A1 (0.50) CYP19A1CYP3A4CYP3A5KCNH2CCR6
Hydrochloric Acid SCHEMBL11726394 0.82 KCNH2 (0.53) CYP19A1CYP3A4CYP3A5KCNH2CCR6
SCHEMBL1878869 0.80 CYP19A1 (0.55) CYP19A1CYP3A4KCNH2KCNA5CYP11B2
SCHEMBL11631843 0.78 CYP19A1 (0.68) CYP19A1CYP3A4CYP3A5NPY2RRAB9A
SCHEMBL11633177 0.78 CYP19A1 (0.72) CYP19A1CYP3A4CYP3A5
SCHEMBL11726054 0.77 CYP3A4 (0.60) CYP19A1CYP3A4CYP3A5KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4110099-A INHIBITOR FOR INTERNODEL GROWTH OF PLANTS ELI LILLY AND COMPANY (US) 1978-08-29 — — 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-4043791-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1977-08-23 — — 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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