SCHEMBL9718810

SCHEMBL9718810

CCC1(C(=O)c2ccccc2)COC2(CCCC2)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
CETP P11597 1/20 0.34
NPSR1 Q6W5P4 4/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 6/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CTSL P07711 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
CTSK P43235 1/20 0.32
AKR1C1 Q04828 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 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
SCHEMBL9004904 0.78 LMNA (0.36) LMNANPSR1POLBGAAMAPK1
SCHEMBL9314611 0.77 ALDH1A1 (0.36) LMNACETPNPSR1POLBGAA
SCHEMBL9004647 0.77 ALDH1A1 (0.36) LMNACETPNPSR1POLBGAA
SCHEMBL9718669 0.73 AKR1C1 (0.39) LMNANPSR1POLBGAAMAPK1
SCHEMBL31389002 0.68 LMNA (0.35) LMNAPOLBGAAALDH1A1CYP1A2
SCHEMBL9004751 0.65 LMNA (0.40) LMNAPOLBALDH1A1TSHRL3MBTL1
SCHEMBL9803438 0.65 LMNA (0.40) LMNACETPNPSR1GAAALDH1A1
SCHEMBL21077437 0.65 CETP (0.50) LMNACETPNPSR1GAAALDH1A1
SCHEMBL14421361 0.65 LMNA (0.46) LMNACETPNPSR1ALDH1A1CYP3A4
SCHEMBL9718676 0.65 LMNA (0.46) LMNAPOLBALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147901-A PROPIONPHENONE DERIVATIVES AS PHOTOINITIATORS FOR PHOTOPOLYMERIZATION CIBA-GEIGY CORPORATION (US) 1992-09-15 US disclosed
EP-0108037-B1 PROPIOPHENONE DERIVATIVES AS PHOTOINITIATORS IN THE PHOTOPOLYMERIZATION CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
US-4795766-A OF ETHYLENICALLY UNSATURATED COMPOUNDS; PRINTING INK CIBA-GEIGY CORPORATION (US) 1989-01-03 US disclosed
EP-0108037-A2 Propiophenone derivatives as photoinitiators in the photopolymerization CIBA-GEIGY AG (CH) 1984-05-09 EP disclosed