SCHEMBL9638586

SCHEMBL9638586

CC(=O)Oc1ccc(-c2c3ccccc3nc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.50
MAPT P10636 6/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
HSP90AA1 P07900 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL29895763 0.85 ESR1 (0.46) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL17254798 0.79 ALOX5 (0.48) ELANENPC1RAB9AHSD17B10MAPT
SCHEMBL8016290 0.79 LMNA (0.57) ELANENPC1RAB9AHSD17B10MAPT
SCHEMBL29488288 0.79 MAPT (0.58) NPC1RAB9AHSD17B10MAPTALDH1A1
SCHEMBL3343178 0.79 MAPT (0.58) NPC1RAB9AHSD17B10MAPTALDH1A1
SCHEMBL304562 0.78 KDM4E (0.61) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL15689510 0.77 TNKS (0.71) NPC1RAB9AHSD17B10MAPTALDH1A1
SCHEMBL1901110 0.77 KDM4E (0.71) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL17254817 0.77 ALOX5 (0.49) ELANENPC1RAB9AHSD17B10MAPT
SCHEMBL914374 0.77 ALDH1A1 (0.76) ELANENPC1RAB9AMAPTALDH1A1

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
EP-0243784-B1 PHOTOPOLIMERIZABLE COMPOSITION AND PHOTOPOLYMERIZABLE IMAGING MATERIAL CONTAINING IT HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-29 EP disclosed
US-5057398-A Improved photosensitivity HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-15 US disclosed