SCHEMBL1323726

SCHEMBL1323726

C=C(C)C(=O)OCc1ccc2cc(CO)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP3A4 P08684 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 3/20 0.37

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
SCHEMBL1324374 0.94 CA2 (0.43) CA2SMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL29503697 0.88 TACR1 (0.47) RAB9ACYP1A2TACR1ALDH1A1
SCHEMBL908789 0.88 CA2 (0.40) CA2SMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL2619047 0.88 TACR1 (0.47) RAB9ACYP1A2TACR1ALDH1A1
SCHEMBL11145716 0.86 TACR1 (0.43) CA2RAB9ACYP1A2TACR1ALDH1A1
SCHEMBL15020207 0.86 TACR1 (0.43) CA2RAB9ACYP1A2TACR1ALDH1A1
SCHEMBL15020074 0.86 TACR1 (0.43) CA2RAB9ACYP1A2TACR1ALDH1A1
SCHEMBL18470680 0.86 TACR1 (0.41) CA2SMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL4361517 0.86 ALDH1A1 (0.43) CYP4F2CYP4A11SMN1; SMN2NPC1RAB9A
SCHEMBL13171565 0.86 CA2 (0.41) CA2SMN1; SMN2NPC1RAB9ACYP3A4

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
US-8057982-B2 Monomer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-11-15 US disclosed
US-20090226843-A1 MONOMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-09-10 US disclosed