SCHEMBL9324414

SCHEMBL9324414

CC(=O)OCCOC(=O)CCn1ccc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
MAPK1 P28482 4/20 0.53
CDK4 P11802 4/20 0.50
CCND1 P24385 4/20 0.50
CREBBP Q92793 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL9324243 0.89 LMNA (0.57) LMNAMAPK1CDK4CCND1CYP1A2
SCHEMBL8163392 0.87 MAPK1 (0.60) LMNAMAPK1CDK4CCND1CYP1A2
SCHEMBL7873205 0.85 CDK4 (0.60) LMNAMAPK1CDK4CCND1CYP1A2
SCHEMBL9324289 0.85 LMNA (0.61) LMNAMAPK1CDK4CCND1CREBBP
SCHEMBL2037341 0.81 LMNA (0.65) LMNAMAPK1CDK4CCND1CYP1A2
SCHEMBL12881191 0.79 LMNA (0.71) LMNAMAPK1CDK4CCND1CYP1A2
SCHEMBL9324410 0.79 LMNA (0.55) LMNAMAPK1CDK4CCND1CYP1A2
SCHEMBL27467119 0.78 KMT2A (0.56) LMNAMAPK1CDK4CCND1CYP1A2
SCHEMBL3596244 0.78 LMNA (0.60) LMNAMAPK1CDK4CCND1CYP1A2
SCHEMBL8792687 0.77 TNF (0.70) LMNAMAPK1CDK4CCND1CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583004-A1 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1994-02-16 EP disclosed