SCHEMBL28054539

SCHEMBL28054539

O=C(O)CCCCC(CC1CCC2OC2C1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.40
FOLH1 Q04609 7/20 0.36
TBXA2R P21731 4/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
GSTK1 Q9Y2Q3 1/20 0.32
MAPT P10636 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31

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
SCHEMBL5049525 0.96 PPM1B (0.41) PPM1BFOLH1TBXA2RTSHRHIF1A
SCHEMBL9578894 0.96 PPM1B (0.41) PPM1BFOLH1TBXA2RTSHRHIF1A
Ethylene Glycol SCHEMBL29999630 0.92 PPM1B (0.39) PPM1BFOLH1TBXA2RMAPTCPN1
SCHEMBL19438943 0.87 PPM1B (0.36) PPM1BFOLH1
SCHEMBL4641432 0.86 TP53 (0.33) PPM1BCPN1CPB2
SCHEMBL6693681 0.86 PPM1B (0.34) PPM1BTBXA2RTSHRHIF1AHSD17B10
SCHEMBL30915480 0.84 PPM1B (0.33) PPM1BFOLH1
SCHEMBL28192410 0.83 PPM1B (0.35) PPM1BFOLH1
SCHEMBL466250 0.82 PPM1B (0.34) PPM1BFOLH1TBXA2RLMNA
SCHEMBL11760725 0.80 TP53 (0.39)

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
CN-105377971-A Curable composition and process for making epoxy thermoset RHODIA OPERATIONS 2016-03-02 CN disclosed