SCHEMBL11035898

SCHEMBL11035898

CCCC1CCC(c2ccc(OC(=O)c3ccc(C)c(F)c3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.53
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SLC6A3 Q01959 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
HTR7 P34969 1/20 0.36
DHODH Q02127 1/20 0.36
RAB9A P51151 1/20 0.35
CHRM1 P11229 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RIPK1 Q13546 1/20 0.34
LDLR P01130 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
PRSS1 P07477 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
SCHEMBL11035897 1.00 CYP2C9 (0.53) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL15693580 0.94 CYP2C9 (0.53) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8567902 0.88 CYP2C9 (0.53) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8567900 0.88 CYP2C9 (0.53) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL15693583 0.86 CYP2C9 (0.45) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10938649 0.86 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10898816 0.86 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL14300473 0.85 CYP2C9 (0.49) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL7510568 0.85 CYP2C9 (0.59) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL8045326 0.85 CYP2C9 (0.59) CYP2C9MAPTALDH1A1LMNAKMT2A

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
JP-59122440-A None JP disclosed
JP-S59122440-A 3-FLUOROBENZOIC ACID PHENYL ESTER DERIVATIVE CHISSO CORP 1984-07-14 JP disclosed