SCHEMBL3154876

SCHEMBL3154876

C=C(Oc1ccc(N)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 4/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
CASP6 P55212 1/20 0.43
GFER P55789 1/20 0.43
MAPK1 P28482 1/20 0.43
PARP10 Q53GL7 2/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
F2 P00734 2/20 0.41
TSHR P16473 2/20 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
SCHEMBL16895024 0.81 ELANE (0.44) KMT2APKMTDP1MAPTKDM4E
SCHEMBL226233 0.80 TDP1 (0.47) TDP1MAPTKDM4EGAAALDH1A1
SCHEMBL27388692 0.79 LMNA (0.57) KMT2AGAAALDH1A1PRSS1LMNA
SCHEMBL13274370 0.79 HPGD (0.46) KMT2AMAPTCYP3A4TSHRLMNA
SCHEMBL8975663 0.78 TDP1 (0.48) KMT2APKMTDP1MAPTKDM4E
SCHEMBL11126719 0.78 TDP1 (0.48) KMT2APKMTDP1MAPTKDM4E
SCHEMBL28622643 0.77 TDP1 (0.44) KMT2APKMTDP1MAPTKDM4E
SCHEMBL27884399 0.75 HSD17B10 (0.48) KMT2AALDH1A1CYP3A4LMNASMN1; SMN2
SCHEMBL4100461 0.75 TDP1 (0.50) KMT2APKMTDP1MAPTKDM4E
SCHEMBL2132487 0.75 TDP1 (0.50) KMT2APKMTDP1MAPTKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465963-B1 PHOTOCHROMIC POLYMER COMPOSITIONS AND ARTICLES THEREOF TRANSITIONS OPTICAL INC (US) 2010-03-03 EP disclosed
US-20070001155-A1 Photochromic polymer compositions and articles thereof WALTERS ROBERT W 2007-01-04 US disclosed
EP-1465963-A2 PHOTOCHROMIC POLYMER COMPOSITIONS AND ARTICLES THEREOF TRANSITIONS OPTICAL, INC. (US) 2004-10-13 EP disclosed
US-20030141490-A1 Photochromic polymer compositions and articles thereof TRANSITIONS OPTICAL, INC. 2003-07-31 US disclosed
WO-2003056390-A2 PHOTOCHROMIC POLYMER COMPOSITIONS AND ARTICLES THEREOF TRANSITIONS OPTICAL, INC. (US) 2003-07-10 WO disclosed