SCHEMBL2317558

SCHEMBL2317558

C=C(CCOC(=O)Nc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
TSHR P16473 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
RECQL P46063 1/20 0.56
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 3/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 1/20 0.47
CHRNA7 P36544 1/20 0.47
MGLL Q99685 1/20 0.47
HPGD P15428 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL2800504 0.84 MEN1 (0.63) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL2782111 0.84 KMT2A (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL910269 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL2783491 0.83 FPR2 (0.44) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL126634 0.81 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11969333 0.81 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL415618 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL17847445 0.80 CHRM3 (0.55) ALDH1A1
SCHEMBL2095860 0.80 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL10597471 0.79 RAB9A (0.77) NPC1RAB9ASMN1; SMN2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531889-B1 USE OF A PHOTOPOLYMER FORMULATION WITH ESTER-BASED WRITING MONOMERS FOR THE FABRICATION OF HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2020-06-03 EP disclosed
EP-2531892-B1 USE OF A PHOTOPOLYMER FORMULATION WITH TRIAZINE-BASED WRITING MONOMERS COVESTRO DEUTSCHLAND AG (DE) 2016-01-27 EP disclosed
EP-2531889-A1 PHOTOPOLYMER FORMULATION HAVING ESTER-BASED WRITING MONOMERS Bayer Intellectual Property GmbH (DE) 2012-12-12 EP disclosed
EP-2531892-A1 PHOTOPOLYMER FORMULATION HAVING TRIAZINE-BASED WRITING MONOMERS Bayer Intellectual Property GmbH (DE) 2012-12-12 EP disclosed
WO-2011095442-A1 PHOTOPOLYMER FORMULATION HAVING ESTER-BASED WRITING MONOMERS BAYER MATERIALSCIENCE AG (DE) 2011-08-11 WO disclosed
WO-2011095441-A1 PHOTOPOLYMER FORMULATION HAVING TRIAZINE-BASED WRITING MONOMERS BAYER MATERIALSCIENCE AG (DE) 2011-08-11 WO disclosed
EP-2154128-B1 Phenylisocyanate based urethane acrylates with high refraction index BAYER MATERIALSCIENCE AG (DE) 2010-12-29 EP disclosed
EP-2154129-A1 Phenylisocyanate based urethanacrylate with high refraction index Bayer MaterialScience AG (DE) 2010-02-17 EP disclosed
EP-2154128-A1 Phenylisocyanate based urethanacrylates with high refraction index Bayer MaterialScience AG (DE) 2010-02-17 EP disclosed