SCHEMBL8855028

SCHEMBL8855028

COc1c(C)cc(C(C)C)cc1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 3/20 0.42
▸ LMNA P02545 1/20 0.37
▸ APP P05067 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ FYN P06241 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ MAP3K11 Q16584 1/20 0.34
▸ CASR P41180 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ AKR1C3 P42330 2/20 0.34
▸ AKR1C2 P52895 2/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 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
SCHEMBL8855427 0.86 HMGCR (0.43) HMGCRLMNAAPPCYP2C19FYN
SCHEMBL8854939 0.84 FYN (0.44) HMGCRFYNMAP3K11CASRP2RX3
SCHEMBL8855082 0.83 HMGCR (0.41) HMGCRAPPCYP2C19FYNPTGS1
SCHEMBL8855279 0.83 HMGCR (0.41) HMGCRAPPCYP2C19FYNPTGS2
SCHEMBL8855220 0.83 HMGCR (0.41) HMGCRAPPCYP2C19FYNPTGS2
SCHEMBL8855017 0.81 HMGCR (0.45) HMGCRAPPCYP2C19FYNPTGS2
SCHEMBL801586 0.75 LMNA (0.38) LMNAPTGS1
SCHEMBL12570854 0.75 LMNA (0.52) HMGCRLMNAAPPCYP2C19PTGS1
SCHEMBL12190511 0.74 EIF4A3 (0.33) LMNAPTGS1
SCHEMBL8855226 0.74 ERN1 (0.45) HMGCRFYNCASRP2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599952-A A 4-FLUOROBIPHENYL DERIVATIVE FUJIREBIO INC. (JP) 1997-02-04 — — US disclosed
US-5481009-A Methods of producing carboxylic acid ester derivatives and intermediates for use in the methods FUJIREBIO INC. (JP) 1996-01-02 — — US disclosed
EP-0643054-A2 Methods of producing carboxylic acid ester derivatives and intermediates for use in the methods FUJIREBIO Inc. (JP) 1995-03-15 — — EP disclosed
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