SCHEMBL9577008

SCHEMBL9577008

CC(C)(C)CC(C)(C)c1cccc([O])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.44
HIF1A Q16665 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 2/20 0.38
MDH1 P40925 5/20 0.36
MDH2 P40926 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
ESR1 P03372 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
DRD1 P21728 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL28122110 0.78 SHBG (0.45) SHBGHIF1ACYP3A4CYP2D6MDH1
SCHEMBL820400 0.76 HDAC8 (0.52) CYP3A4MEN1MAPTKMT2AESR1
SCHEMBL9577021 0.76 SHBG (0.53) SHBGHIF1ACYP3A4CYP2D6MDH1
SCHEMBL3855587 0.76 SHBG (0.59) SHBGHIF1ACYP3A4CYP2D6MDH1
SCHEMBL18752791 0.76 MAPK1 (0.50) SHBGHIF1ACYP3A4CYP2D6SMN1; SMN2
SCHEMBL29538635 0.74 KIF11 (0.46) SHBGHIF1ACYP3A4CYP2D6SMN1; SMN2
SCHEMBL29174988 0.74 SHBG (0.42) SHBGHIF1ACYP3A4CYP2D6MDH1
SCHEMBL8473785 0.74 RXRA (0.49) SHBGMDH1MDH2ACHENPC1
SCHEMBL9577011 0.74 CNR2 (0.50)
SCHEMBL200171 0.74 SHBG (0.61) SHBGHIF1ACYP3A4CYP2D6MDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335214-B1 Polycarbonate IDEMITSU PETROCHEMICAL CO (JP) 1993-12-08 EP disclosed
US-5091482-A High fluidity and impact resistance, moldable into thin and complex shapes IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1992-02-25 US disclosed
US-4977233-A HIGH FLUIDITY AND IMPACT RESISTANCE; MOLDABILITY INTO THIN OR COMPLEX SHAPES IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1990-12-11 US disclosed
EP-0335214-A2 Polycarbonate IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1989-10-04 EP disclosed