SCHEMBL8410004

SCHEMBL8410004

CCCC(C)(C(=O)OC)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.55
CYP2C19 P33261 4/20 0.44
SCN1A P35498 3/20 0.44
SCN2A Q99250 3/20 0.44
SCN3A Q9NY46 3/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NR1I2 O75469 1/20 0.43
CYP1A1 P04798 1/20 0.43

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
SCHEMBL4961592 0.90 KCNN4 (0.51) KCNN4CYP2C19SCN1ASCN2ASCN3A
SCHEMBL4955211 0.87 KCNN4 (0.49) KCNN4ALDH1A1HTTPRSS1CTSG
SCHEMBL28211981 0.86 KCNN4 (0.55) KCNN4CYP2C19LMNATSHRKMT2A
SCHEMBL3954199 0.86 KCNN4 (0.55) KCNN4CYP2C19TSHRKMT2AMEN1
SCHEMBL4953286 0.86 KCNN4 (0.58) KCNN4CYP2C19KMT2AMEN1SRC
SCHEMBL28084453 0.85 PIN1 (0.49) KCNN4CYP2C19SCN1ASCN2ASCN3A
SCHEMBL28558102 0.83 SCN1A (0.52) CYP2C19SCN1ASCN2ASCN3ALMNA
SCHEMBL10982127 0.82 KCNN4 (0.58) KCNN4CYP2C19TSHRKMT2AMEN1
SCHEMBL28784720 0.82 KCNN4 (0.58) KCNN4CYP2C19TSHRKMT2AMEN1
SCHEMBL13903490 0.82 KCNN4 (0.50) KCNN4CYP2C19RAB9AKMT2AMEN1

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-5874605-A Process for preparing aromatic carbonic ester NIPPON SHOKUBAI CO., LTD. (JP) 1999-02-23 US disclosed