SCHEMBL1880446

SCHEMBL1880446

C=CC(=O)OCCCCOc1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 3/20 0.59
PTK2B Q14289 1/20 0.59
THRB P10828 1/20 0.56
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 4/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.49
CYP2C9 P11712 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46

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
SCHEMBL8729390 0.98 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BTHRBCYP3A4
SCHEMBL29562987 0.98 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BTHRBCYP3A4
SCHEMBL34474455 0.98 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BTHRBCYP3A4
SCHEMBL8563431 0.98 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BTHRBCYP3A4
SCHEMBL10868718 0.98 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BTHRBCYP3A4
SCHEMBL10869054 0.98 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BTHRBCYP3A4
SCHEMBL10868375 0.98 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BTHRBCYP3A4
SCHEMBL10868858 0.98 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BTHRBCYP3A4
SCHEMBL8720272 0.98 ALDH1A1 (0.58) ALDH1A1KMT2APTK2BTHRBCYP3A4
SCHEMBL10869836 0.97 ALDH1A1 (0.59) ALDH1A1KMT2APTK2BTHRBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8740088-B2 Identification and authentication using liquid crystal material markings SICPA HOLDING SA (CH) 2014-06-03 US disclosed
US-20110101088-A1 IDENTIFICATION AND AUTHENTICATION USING LIQUID CRYSTAL MATERIAL MARKINGS SICPA HOLDINGS SA 2011-05-05 US disclosed
EP-0184482-A1 Thermotropical polymers with chiral lateral chains, and process for their preparation THOMSON-CSF (FR) 1986-06-11 EP disclosed