SCHEMBL4382282

SCHEMBL4382282

[CH2]C(=O)OC(C)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 5/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 4/20 0.37
ATM Q13315 1/20 0.36
CA1 P00915 2/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
ESR1 P03372 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.33
RNASEL Q05823 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL1469667 0.83 ALDH1A1 (0.41) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL133243 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL5933221 0.82 ALDH1A1 (0.40) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL7716277 0.82 ALDH1A1 (0.40) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL23161032 0.81 TSHR (0.38) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL7714262 0.81 ALDH1A1 (0.36) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL5933182 0.80 ALDH1A1 (0.39) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL8679164 0.80 ALDH1A1 (0.39) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL14015830 0.80 NAAA (0.44) ALDH1A1TSHRHPGDLMNAATM
SCHEMBL19901453 0.80 ALDH1A1 (0.43) ALDH1A1TSHRHPGDLMNAATM

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
US-8211984-B2 Ring-opening metathesis polymer, hydrogenated product thereof, method for preparing the same, and use thereof MITSUI CHEMICALS, INC. (JP) 2012-07-03 US disclosed
US-20090215974-A1 RING-OPENING METATHESIS POLYMER, HYDROGENATED PRODUCT THEREOF, METHOD FOR PREPARING THE SAME, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2009-08-27 US disclosed
EP-2045280-A1 RING-OPENING METATHESIS POLYMERS, PRODUCTS OF HYDROGENATION THEREOF, PROCESS FOR PRODUCTION OF THE SAME AND USES THEREOF Mitsui Chemicals, Inc. (JP) 2009-04-08 EP disclosed
US-6372854-B1 POLYALKENAMERS USED AS PHOTORESISTS HAVING EXCELLENT OPTICAL ELECTRICAL PROPERTIES; HIGH RIGIDITY; HEAT RESISTANCE; ADHESION AND WEAR RESISTANCE; HYDROGENATION; ACIDOLYSIS MITSUI CHEMICALS, INC. (JP) 2002-04-16 US disclosed