SCHEMBL4452500

SCHEMBL4452500

CC(C)(C)CC(C)(C)c1c(O)cccc1Sc1cccc(O)c1C(C)(C)CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.40
CYP3A4 P08684 4/20 0.33
HIF1A Q16665 2/20 0.33
CYP2D6 P10635 1/20 0.33
P4HB P07237 1/20 0.33
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
TP53 P04637 2/20 0.30
MAPK1 P28482 2/20 0.30
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
ALOX15 P16050 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL11590403 0.98 SHBG (0.39) SHBGCYP3A4HIF1ACYP2D6P4HB
SCHEMBL9065619 0.84 DHFR (0.33) CYP3A4HIF1AP4HBTRPA1ATM
SCHEMBL7597677 0.78 SHBG (0.42) SHBGCYP3A4HIF1ACYP2D6TRPA1
SCHEMBL679143 0.78 TRPA1 (0.48) SHBGCYP3A4HIF1ACYP2D6TRPA1
SCHEMBL29597345 0.78 TRPA1 (0.48) SHBGCYP3A4HIF1ACYP2D6TRPA1
SCHEMBL6558955 0.76 SHBG (0.41) SHBGCYP3A4HIF1ACYP2D6TRPA1
SCHEMBL6469365 0.76 ALDH1A1 (0.50) SHBGCYP3A4HIF1ACYP2D6TRPA1
SCHEMBL6935470 0.76 SHBG (0.52) SHBGCYP3A4HIF1ACYP2D6ALDH1A1
SCHEMBL22500114 0.75 CA2 (0.41) SHBGCYP3A4HIF1AALDH1A1TSHR
SCHEMBL15190247 0.73 GABRA1 (0.33) TRPA1ATMALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531587-B2 Thermal stabilizer composition for halogen-containing vinyl polymers ROHM AND HAAS COMPANY (US) 2009-05-12 US disclosed
US-7488433-B2 Thermal stabilizer compositions for halogen-containing vinyl polymers ROHM AND HAAS COMPANY (US) 2009-02-10 US disclosed
US-20060079611-A1 Thermal stabilizer compositions for halogen-containing vinyl polymers AUSTEN STEVEN C 2006-04-13 US disclosed
US-7025904-B2 Method for improving adhesion of water-based inks to halogen-containing resin articles ROHM AND HAAS COMPANY (US) 2006-04-11 US disclosed
US-6743840-B1 HEAT STABILIZER; ODORLESS; DEGRADATION PRODUCTS OF A BLOCKED MERCAPTAN ROHM AND HAAS COMPANY 2004-06-01 US disclosed
US-6548707-B1 Deodorizing; heat and oxidation resistance; stabilizers ROHM AND HAAS COMPANY 2003-04-15 US disclosed
US-20020086920-A1 METHOD FOR IMPROVING ADHENSION OF WATER-BASED INKS TO HALOGEN- CONTAINING RESIN ARTICLES PMC CINCINNATI, INC. 2002-07-04 US disclosed
US-4179432-A 2-HYDROXYBENZOPHENONE, ORGANOTIN MERCAPTIDE PHOTOSTABILITY CINCINNATI MILACRON CHEMICALS, INC. (US) 1979-12-18 US disclosed
US-RE29523-E Olefinic polymers stabilized with thioacyl trivalent phosphorus compounds BORG-WARNER CORPORATION (US) 1978-01-24 US disclosed
US-3959220-A Polymer additives comprising transition metal complexes with trivalent phosphorous compounds CINCINNATI MILACRON CHEMICALS, INC. (US) 1976-05-25 US disclosed