SCHEMBL9855299

SCHEMBL9855299

CC(=C(c1ccc(F)cc1)c1ccc(F)cc1)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
LMNA P02545 1/20 0.38
PTBP1 P26599 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
METTL3 Q86U44 1/20 0.35
ACHE P22303 1/20 0.35
PTPN1 P18031 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR7 P34969 1/20 0.34
MAPT P10636 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 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
SCHEMBL6935603 0.71 CES2 (0.44) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL21281501 0.69 CES2 (0.52) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL8828837 0.69 CES2 (0.52) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL1515113 0.69 CES2 (0.52) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL8828839 0.69 CES2 (0.52) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL9855130 0.68 CES2 (0.41) CES2CES1LMNASMN1; SMN2CA1
SCHEMBL9855452 0.68 PTPN1 (0.48) CES2CES1SMN1; SMN2CA1CA2
SCHEMBL25501693 0.68 ACHE (0.59) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL9855767 0.68 PLOD2 (0.42) CES2CES1LMNAPTBP1SMN1; SMN2
SCHEMBL25501695 0.68 ESR1 (0.47) CES2CES1LMNAPTBP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011947-A Enzyme inhibitors for cholesterol biosythesis BRISTOL-MYERS (US) 1991-04-30 US disclosed