SCHEMBL9144705

SCHEMBL9144705

Oc1ccc2ccc(OC(F)C(F)(F)C(F)(F)C(F)(F)F)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.41
ESR2 Q92731 6/20 0.41
KMT2A Q03164 10/20 0.40
MEN1 O00255 9/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.38
ATM Q13315 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
RAB9A P51151 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 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
SCHEMBL7560656 0.97 ESR1 (0.37) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL7563949 0.82 ESR1 (0.39) ESR1ESR2KMT2AMEN1
SCHEMBL9146042 0.78 ESR2 (0.40) ESR1ESR2KMT2AMEN1
SCHEMBL29431683 0.77 ESR1 (0.49) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL9147335 0.76 ESR1 (0.37) ESR1ESR2KMT2AMEN1MAPT
SCHEMBL9146372 0.76 ESR1 (0.37) ESR1ESR2KMT2AMEN1MAPT
SCHEMBL9144711 0.74 CYP1A2 (0.41) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL22816814 0.73 CYP1A2 (0.46) ESR1ESR2KMT2AMEN1CASP3
SCHEMBL9578491 0.73 KMT2A (0.41) KMT2AMEN1MAPTPKM
SCHEMBL9144613 0.73 ESR2 (0.38) ESR1ESR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399701-A Polyfluoroalkyloxypyridinecarboxylic acid and -carboxaldehyde intermediates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 US disclosed
EP-0255236-B1 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING & MFG (US) 1994-05-04 EP disclosed
US-5254747-A Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-19 US disclosed
US-4886619-A TILTED OR LATENT TILTED MESOPHASES; BLENDS; FERROELECTRIC DEVICE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-12-12 US disclosed
EP-0255236-A2 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-02-03 EP disclosed