SCHEMBL9338964

SCHEMBL9338964

C=CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4cc(F)c(F)c(F)c4)nc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.35
ACACB O00763 1/20 0.31
KDM1A O60341 1/20 0.31
DHODH Q02127 1/20 0.30
HDAC4 P56524 1/20 0.30

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
SCHEMBL9445493 0.91 DGAT1 (0.34) DGAT1ACACBHDAC4
SCHEMBL9343500 0.91 DGAT1 (0.34) DGAT1ACACBHDAC4
SCHEMBL9338880 0.91 GRIN2B (0.35) DGAT1ACACBDHODHHDAC4
SCHEMBL9338972 0.88 FASN (0.33) DGAT1
SCHEMBL9445500 0.88 EP300 (0.36) DGAT1KDM1AHDAC4
SCHEMBL9338924 0.88 EP300 (0.36) DGAT1KDM1AHDAC4
SCHEMBL9339576 0.87 DGAT1 (0.34) DGAT1DHODHHDAC4
SCHEMBL9338974 0.87 DGAT1 (0.34) DGAT1DHODHHDAC4
SCHEMBL9342749 0.85 EGLN2 (0.39) KDM1A
SCHEMBL9338850 0.84 DGAT1 (0.37) DGAT1ACACBDHODHHDAC4

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
EP-0391591-B1 Pyrimidine derivative and liquid crystal composition incorporating the same SEIKO EPSON CORP (JP) 1994-06-15 EP disclosed
EP-0391591-A2 Pyrimidine derivative and liquid crystal composition incorporating the same SEIKO EPSON CORPORATION (JP) 1990-10-10 EP disclosed