SCHEMBL9730519

SCHEMBL9730519

COc1cc2c(cc1OC)C(C(C)C)=C(C)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
MAOA P21397 2/20 0.41
GAA P10253 1/20 0.41
ACHE P22303 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CHEK1 O14757 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.35
PDGFRB P09619 1/20 0.35
ABCB1 P08183 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL9730321 0.77 METAP1 (0.50) CYP3A4ALDH1A1CA1CA2CA4
SCHEMBL2871970 0.77
SCHEMBL7981630 0.74 MAPT (0.75) MAPTCYP3A4ALDH1A1KDM4EMAOA
SCHEMBL25493088 0.71 HTR2A (0.41) LMNA
SCHEMBL9731711 0.71 ACHE (0.42) MAPTCYP3A4ALDH1A1ACHECA1
SCHEMBL6933142 0.70 AKR1C3 (0.37) MAPTHPGDMEN1KMT2ALMNA
SCHEMBL16156009 0.67 CYP3A4 (0.56) MAPTCYP3A4ALDH1A1KDM4EHPGD
SCHEMBL31369146 0.67 CYP3A4 (0.62) MAPTCYP3A4MAOAACHECA1
SCHEMBL8938848 0.67 LMNA (0.50) MAPTCYP3A4ALDH1A1KDM4EHPGD
SCHEMBL28642174 0.67 CYP3A4 (0.56) MAPTCYP3A4ALDH1A1KDM4EMAOA

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-5126461-A Silica in organic solution SHELL RESEARCH LIMITED (GB) 1992-06-30 US disclosed