SCHEMBL4137626

SCHEMBL4137626

CCCCOC(=O)C(C=CC#N)C=C(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 3/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
NR1H2 P55055 1/20 0.31
RNASEL Q05823 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6754232 0.86 HCAR2 (0.33) HCAR2ALDH1A1TSHRCYP2C19CYP2C9
SCHEMBL28223554 0.72 ALDH1A1 (0.46) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL9768544 0.69 TSHR (0.63) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL10448731 0.69 ATM (0.45) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL9776652 0.69 TSHR (0.61) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL598744 0.68 ATM (0.59) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL8645656 0.68 ATM (0.59) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL8645658 0.68 ATM (0.59) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL24797 0.68 ATM (0.70) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL4436175 0.67 TSHR (0.55) HCAR2ALDH1A1TSHRRAB9ANPSR1

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-20090253834-A1 ADHESIVE COMPOSITIONS USEFUL IN FLEXIBLE CIRCUIT SUBSTRATE APPLICATIONS AND METHODS RELATING THERETO E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-10-08 US disclosed