SCHEMBL11409703

SCHEMBL11409703

CCC(C)CC1CCC(c2ccc(OC(=O)c3ccc(C)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.41
ACR P10323 2/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GBA1 P04062 1/20 0.38
IDO1 P14902 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL11416378 1.00 PRSS1 (0.41) PRSS1ACRCYP2C9KMT2AMEN1
SCHEMBL11403234 0.91 CYP2C9 (0.41) CYP2C9KMT2AMEN1MAPTALDH1A1
SCHEMBL11416506 0.91 CYP2C9 (0.41) PRSS1CYP2C9KMT2AMEN1MAPT
SCHEMBL11403411 0.91 MAPT (0.48) PRSS1ACRCYP2C9KMT2AMAPT
SCHEMBL11407641 0.91 CYP2C9 (0.41) PRSS1CYP2C9KMT2AMEN1MAPT
SCHEMBL11411675 0.90 ESR1 (0.44) PRSS1ACRCYP2C9KMT2AMEN1
SCHEMBL11411005 0.90 KMT2A (0.46) CYP2C9KMT2AMEN1MAPTALDH1A1
SCHEMBL11411644 0.88 MAPT (0.41) PRSS1ACRCYP2C9KMT2AMAPT
SCHEMBL11408537 0.88 CYP2C9 (0.41) PRSS1ACRCYP2C9KMT2AMEN1
SCHEMBL11416289 0.88 PRSS1 (0.47) PRSS1ACRCYP2C9KMT2AMAPT

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
US-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 US disclosed