SCHEMBL29137086

SCHEMBL29137086

CCCCCCCCOCCCCC(CCC)OC(=O)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 2/20 0.55
ESR1 P03372 3/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B3 P37058 6/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44

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
SCHEMBL7779127 0.93 PNLIP (0.61) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL17907451 0.91 PNLIP (0.63) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL2127419 0.91 PNLIP (0.63) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL22684922 0.91 PNLIP (0.63) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL1963321 0.91 PNLIP (0.63) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL17907453 0.91 PNLIP (0.63) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL22684927 0.91 PNLIP (0.63) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL28965944 0.90 PNLIP (0.53) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL28965909 0.90 PNLIP (0.53) PNLIPESR1TSHRLMNACYP1A2
SCHEMBL28965922 0.90 PNLIP (0.53) PNLIPESR1TSHRLMNACYP1A2

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-115594966-B Polyamide composite material and preparation method and application thereof 上海金发科技发展有限公司 2024-01-02 CN claimed