SCHEMBL6858443

SCHEMBL6858443

CCC1(O)C(O)=C(C(=O)O)N(Cc2ccccc2)C1(CC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ELANE P08246 2/20 0.36
AMPD2 Q01433 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
NOTUM Q6P988 2/20 0.34
TSHR P16473 2/20 0.33
GRM6 O15303 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GFER P55789 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL182808 0.75 ALDH1A1 (0.43) ALDH1A1ELANEAMPD2NOTUMTSHR
SCHEMBL10948588 0.62 ELANE (0.48) ALDH1A1ELANEAMPD2NPSR1
SCHEMBL6049149 0.61 ALDH1A1 (0.50) ALDH1A1ELANEAMPD2NPSR1TSHR
SCHEMBL10384157 0.59 AMPD2 (0.46) ELANEAMPD2POLB
SCHEMBL6137787 0.59 ALDH1A1 (0.44) ALDH1A1ELANEAMPD2NPSR1SMN1; SMN2
SCHEMBL30695258 0.59 ELANE (0.44) ALDH1A1ELANEAMPD2NPSR1TSHR
SCHEMBL15387526 0.58 RIPK1 (0.47) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL21287623 0.57 CYP2D6 (0.58) ALDH1A1TSHRPOLBLMNAMEN1
SCHEMBL2769832 0.57 CYP2D6 (0.44) ALDH1A1ELANENPSR1TSHRPOLB
SCHEMBL23608653 0.56 GAA (0.43) ELANEAMPD2NOTUMTSHRPOLB

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-6835471-B2 Discotic liquid crystal compounds using a multifunction porphyrin derivative compound which is light-emissive and especially has phosphorescent light emission properties and liquid crystal properties simultaneously CANON KABUSHIKI KAISHA (JP) 2004-12-28 US disclosed
US-20030034722-A1 Light emitting device and display unit which make use of porphyrin derivative compound CANON KABUSHIKI KAISHA (JP) 2003-02-20 US disclosed