SCHEMBL7942444

SCHEMBL7942444

Cc1cc(C(C)(C)CC(C)(C)C)cc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
HIF1A Q16665 2/20 0.53
CYP2C9 P11712 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
SHBG P04278 1/20 0.48
ESR1 P03372 7/20 0.45
IDH1 O75874 1/20 0.42
CYP2D6 P10635 1/20 0.41
ESR2 Q92731 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
AR P10275 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL27728893 0.91 CYP3A4 (0.46) CYP3A4HIF1ACYP2C9ALDH1A1ALOX15
SCHEMBL200257 0.90 SHBG (0.54) CYP3A4HIF1ACYP2C9ALDH1A1ALOX15
SCHEMBL6015498 0.82 CYP3A4 (0.51) CYP3A4HIF1ACYP2C9ALDH1A1ALOX15
SCHEMBL23703286 0.82 SHBG (0.47) CYP3A4HIF1ACYP2C9ALDH1A1ALOX15
SCHEMBL10948417 0.81 CYP3A4 (0.47) CYP3A4HIF1ACYP2C9ALDH1A1ALOX15
SCHEMBL17269273 0.79 CYP3A4 (0.46) CYP3A4HIF1ACYP2C9ALDH1A1ALOX15
SCHEMBL13096081 0.78 SHBG (0.57) CYP3A4HIF1ACYP2C9ALDH1A1ALOX15
SCHEMBL27728975 0.78 CYP3A4 (0.48) CYP3A4HIF1ACYP2C9ALDH1A1ALOX15
SCHEMBL11758727 0.77 HSD17B10 (0.47) CYP3A4HIF1ACYP2C9ALDH1A1ALOX15
SCHEMBL1129773 0.77 HMGB1 (0.53) CYP3A4HIF1ACYP2C9ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
WO-1993013089-A1 MACROCYCLIC POLYETHER CARBOXYLIC ACIDS URBAN FRANK J (US) 1993-07-08 WO disclosed
US-4935442-A Tetrahydrofuran-containing macrocyclic polyether carboxylic acids PFIZER INC. (US) 1990-06-19 US disclosed
US-4876367-A ANIMAL GROWTH REGULATORS PFIZER INC. (US) 1989-10-24 US disclosed
US-4777270-A INCREASE EFFICIENCY OF FEED UTILIZATION IN RUMINANTS PFIZER INC. (US) 1988-10-11 US disclosed
US-4050945-A METALLIC COMPOUND REACTANT, CHELATING COMPOUND REACTANT, BINDER SUZUKI YOSHIO 1977-09-27 US disclosed