SCHEMBL10696057

SCHEMBL10696057

C=C(c1ccc(OCC)cc1)c1ccc(N)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
NQO1 P15559 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 2/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL5961802 0.91 NQO1 (0.50) PARP10PRSS1PRSS2PRSS3TDP1
SCHEMBL10692941 0.83 GAA (0.42) PARP10PRSS1PRSS2PRSS3TDP1
SCHEMBL28021522 0.77 MAPT (0.51) PARP10PRSS1PRSS2PRSS3TDP1
SCHEMBL7666233 0.77 NQO1 (0.64) PARP10PRSS1PRSS2PRSS3TDP1
SCHEMBL5690948 0.76 KMT2A (0.39) TSHRALDH1A1MAPTRECQLSMN1; SMN2
SCHEMBL10681956 0.75 MAPT (0.46) PARP10PRSS1PRSS2PRSS3TSHR
SCHEMBL19220415 0.71 LTA4H (0.57) PARP10PRSS1PRSS2PRSS3NQO1
SCHEMBL10685576 0.71 NPC1 (0.57) PARP10PRSS1PRSS2PRSS3TSHR
SCHEMBL19036538 0.70 PARP10 (0.66) PARP10PRSS1PRSS2PRSS3TDP1
SCHEMBL10685241 0.69 KDM4E (0.47) PARP10PRSS1PRSS2PRSS3TSHR

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
EP-0257591-A2 Process for preparing diphenylalkene derivatives KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-03-02 EP disclosed