SCHEMBL28061410

SCHEMBL28061410

O=C(O)CCCCC(=O)OC(=O)C1CCC2OC2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 5/20 0.34
PPM1B O75688 4/20 0.34
TSHR P16473 3/20 0.33
LMNA P02545 3/20 0.33
PTPN1 P18031 3/20 0.33
PPP1CC P36873 2/20 0.33
NFKB1 P19838 2/20 0.32
PMP22 Q01453 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
TFPI2 P48307 1/20 0.32
TP53 P04637 1/20 0.32
THPO P40225 1/20 0.32

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
Adipic Acid SCHEMBL6321192 0.85 PPM1B (0.40) TBXA2RPPM1BTSHRLMNAPTPN1
Adipic Acid SCHEMBL28874710 0.82 LMNA (0.41) TBXA2RPPM1BTSHRLMNANFKB1
SCHEMBL21047517 0.80 TSHR (0.48) TSHRLMNAPTPN1NFKB1PMP22
SCHEMBL8684435 0.77 NAAA (0.41) TBXA2RPPM1BTSHRLMNAFFAR4
SCHEMBL36591 0.75 PPM1B (0.36) TBXA2RPPM1BTSHRLMNANFKB1
SCHEMBL1397145 0.75 LMNA (0.46) TBXA2RPPM1BTSHRLMNAPTPN1
Heptanoate SCHEMBL28136454 0.75 GPR84 (0.50) TBXA2RTSHRPTPN1FFAR4
SCHEMBL23523401 0.74 LMNA (0.35) PPM1BLMNAPTPN1PPP1CC
SCHEMBL11353859 0.74 TSHR (0.50) TBXA2RPPM1BTSHRLMNAPTPN1
SCHEMBL29148852 0.74 LMNA (0.45) TBXA2RPPM1BTSHRLMNAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105384913-A Purely cationic photosensitive resin for 3D printing stereolithographic rapid prototyping, and preparation method and application thereof UNIV NANCHANG 2016-03-09 CN claimed
CN-105384913-A Purely cationic photosensitive resin for 3D printing stereolithographic rapid prototyping, and preparation method and application thereof UNIV NANCHANG 2016-03-09 CN disclosed