SCHEMBL9815045

SCHEMBL9815045

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
RAD52 P43351 1/20 0.39
UBE2N P61088 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRB P23467 1/20 0.38

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
SCHEMBL9814964 0.91 LMNA (0.39) LMNACYP1A2CYP2D6TSHRTDP1
SCHEMBL9815070 0.88 MEN1 (0.36) LMNACYP1A2CYP2D6TSHRTDP1
SCHEMBL6254663 0.80 PTGER1 (0.51) MEN1KMT2APTGER1
SCHEMBL9814951 0.79 HTR1A (0.51) LMNATDP1MEN1ALDH1A1TP53
SCHEMBL27684390 0.77 APP (0.39) LMNAAPPPTGER1GAAKDM4E
SCHEMBL10390879 0.77 TDP1 (0.46) LMNACYP1A2CYP2D6TSHRTDP1
SCHEMBL9815012 0.76 CYP3A4 (0.52) LMNACYP2D6USP2SMN1; SMN2MEN1
SCHEMBL20147117 0.73 MRGPRX4 (0.53) LMNATDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9169993 0.72 HTR1A (0.40) TDP1SMN1; SMN2MAPTAPPPTGER1
SCHEMBL9815002 0.70 GAA (0.44) LMNATDP1MEN1ALDH1A1TP53

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-0295729-B1 INTRAMOLECULAR NUCLEOPHILIC DISPLACEMENT COMPOUND AND USE IN PHOTOGRAPHY AGFA-GEVAERT N.V. (BE) 1991-09-04 EP disclosed
EP-0295729-A1 Intramolecular nucleophilic displacement compound and use in photography AGFA-GEVAERT N.V. (BE) 1988-12-21 EP disclosed