SCHEMBL10899341

SCHEMBL10899341

O=C(OCc1ccccc1)C1=CCCC=C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
KMT2A Q03164 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.49
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 2/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP12 P39900 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MMP1 P03956 1/20 0.43
CYP3A4 P08684 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL658354 0.77 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL29319736 0.77 ESR1 (0.48) TDP1ALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL7475347 0.76 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL6984392 0.74 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL23654831 0.74 ALDH1A1 (0.47) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL6402746 0.73 TDP1 (0.59) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL10609188 0.73 ALDH1A1 (0.37) SLC6A2SLC6A3ALDH1A1TSHR
SCHEMBL10599688 0.73 TDP1 (0.46) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL1991302 0.72 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL23505783 0.72 KMT2A (0.49) KMT2AALDH1A1LMNAL3MBTL1TSHR

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-4617582-A Heat-sensitive recording sheet MITSUBISHI PAPER MILLS, LTD. (JP) 1986-10-14 US disclosed
US-4587537-A WAX, A TEREPHTHALATE, BENZYL P-HYDROXYBENZOATE DEVELOPER MITSUBISHI PAPER MILLS, LTD. (JP) 1986-05-06 US disclosed