Sugi Predict

Sugi Predict / Compounds / SCHEMBL9405944

SCHEMBL9405944

SCHEMBL9405944

CCCCCC1CCC(C(C)[C@H]2CC[C@H](c3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ FFAR1 O14842 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL9405954 1.00 GAA (0.32) GAAMAPTFFAR1HPGDMEN1
SCHEMBL9631190 0.99 GAA (0.34) GAAMAPTFFAR1HPGDMEN1
SCHEMBL9406185 0.99 GAA (0.34) GAAMAPTFFAR1HPGDMEN1
SCHEMBL9406192 0.99 GAA (0.34) GAAMAPTFFAR1HPGDMEN1
SCHEMBL9631946 0.97 HPGD (0.32) GAAMAPTHPGDMEN1KMT2A
SCHEMBL9632018 0.94 PPARG (0.33) GAAMAPTFFAR1HPGDMEN1
SCHEMBL9631956 0.94 SCN9A (0.33) GAAMAPTFFAR1MEN1KMT2A
SCHEMBL9406275 0.93 GAA (0.33) GAAMAPTFFAR1HPGDMEN1
SCHEMBL9406267 0.93 GAA (0.33) GAAMAPTFFAR1HPGDMEN1
SCHEMBL9630304 0.93 PPARG (0.32) GAAMAPTFFAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 — — US disclosed
EP-0364538-B1 DIFLUOROBENZOL DERIVATIVES MERCK PATENT GmbH (DE) 1992-05-06 — — EP disclosed