SCHEMBL8467648

SCHEMBL8467648

CC=CCCCOC(=O)/C=C\C(=O)OCCCC=CC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
HCAR2 Q8TDS4 5/20 0.50
MAPT P10636 3/20 0.47
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 2/20 0.39
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS2 P35354 1/20 0.37
PDE4D Q08499 1/20 0.37
FAAH O00519 2/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
APP P05067 1/20 0.34

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
SCHEMBL15865685 0.88 ATM (0.48) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL8765471 0.87 ATM (0.50) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL48743 0.84 TSHR (0.61) ATMHCAR2MAPTALDH1A1TSHR
SCHEMBL14775484 0.83 ALDH1A1 (0.40) ATMMAPTALDH1A1TSHRHPGD
SCHEMBL28767987 0.81 ATM (0.50) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL9540436 0.81 NR1I2 (0.38) ATMMAPTALDH1A1TSHRHPGD
SCHEMBL7555801 0.81 ALDH1A1 (0.52) MAPTRAB9AALDH1A1TSHRCYP3A4
SCHEMBL9540438 0.81 NR1I2 (0.38) ATMMAPTALDH1A1TSHRHPGD
SCHEMBL9540440 0.81 PGR (0.38) ATMMAPTNPSR1ALDH1A1TSHR
SCHEMBL31548 0.81 ALDH1A1 (0.52) MAPTRAB9AALDH1A1TSHRCYP3A4

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-5856428-A Crystalline aromatic polyamide resin composition E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-05 US disclosed