SCHEMBL9754962

SCHEMBL9754962

CC1(C)CCC(C)(C)CC(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ALDH1A1 P00352 9/20 0.33
ALOX15 P16050 1/20 0.33
MAOA P21397 1/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 1/20 0.32
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2691041 0.86
SCHEMBL1392715 0.81
SCHEMBL9754994 0.81 KDM4E (0.35) MAPTALDH1A1ALOX15KDM4ELMNA
SCHEMBL638075 0.80 MAPT (0.36) MAPTALDH1A1ALOX15MAOAKDM4E
SCHEMBL8749 0.77
SCHEMBL7752376 0.75 MAPT (0.30) MAPT
SCHEMBL7752615 0.75 TRIM24 (0.43) MAPTALDH1A1
SCHEMBL14386923 0.74 CYP3A4 (0.34) MAPTALDH1A1LMNAHTTGAA
SCHEMBL8344752 0.73 SMN1; SMN2 (0.35) MAPTKDM4ELMNACYP2C9CYP2C19
SCHEMBL123127 0.73 ALDH1A1 (0.47) MAPTALDH1A1ALOX15MAOAKDM4E

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
WO-1991013616-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-09-19 WO disclosed
US-4996234-A Anticholesterol agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-02-26 US disclosed
US-4900754-A ANTICHOLESTEROL AGENTS RORER PHARMACEUTICAL CORP. (US) 1990-02-13 US disclosed
US-4863957-A ANTICHOLESTEROL AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-09-05 US disclosed