SCHEMBL9815070

SCHEMBL9815070

CCOP(=O)(Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCc1ccccc1)ON1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGER1 P34995 3/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C19 P33261 1/20 0.34
APP P05067 4/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
APAF1 O14727 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
RAD52 P43351 1/20 0.34

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
SCHEMBL9815045 0.88 LMNA (0.40) MEN1KMT2APTGER1LMNACYP1A2
SCHEMBL9814964 0.82 LMNA (0.39) MEN1KMT2APTGER1LMNACYP1A2
SCHEMBL6254663 0.70 PTGER1 (0.51) MEN1KMT2APTGER1
SCHEMBL10390879 0.69 TDP1 (0.46) MEN1KMT2ALMNACYP1A2CYP2D6
SCHEMBL9814951 0.69 HTR1A (0.51) MEN1KMT2APTGER1LMNATDP1
SCHEMBL27684390 0.67 APP (0.39) PTGER1LMNAAPP
SCHEMBL9815012 0.66 CYP3A4 (0.52) MEN1KMT2ALMNACYP2D6ALDH1A1
SCHEMBL20147117 0.65 MRGPRX4 (0.53) PTGER1LMNATDP1ALDH1A1NPC1
SCHEMBL9815002 0.63 GAA (0.44) MEN1KMT2APTGER1LMNATDP1
SCHEMBL9169993 0.63 HTR1A (0.40) PTGER1TDP1APPNPC1RAB9A

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
EP-0295729-B1 INTRAMOLECULAR NUCLEOPHILIC DISPLACEMENT COMPOUND AND USE IN PHOTOGRAPHY AGFA-GEVAERT N.V. (BE) 1991-09-04 EP disclosed
US-4912028-A Alkali permeable hydrophilic colloid AGFA-GEVAERT, N.V. (BE) 1990-03-27 US disclosed
EP-0295729-A1 Intramolecular nucleophilic displacement compound and use in photography AGFA-GEVAERT N.V. (BE) 1988-12-21 EP disclosed