SCHEMBL7159754

SCHEMBL7159754

CC(=C(C)C12CCC(CC1=O)C2(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
P2RX7 Q99572 1/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33

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
SCHEMBL27817357 0.82 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL18131885 0.77 P2RX7 (0.39) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL22496025 0.77 MEN1 (0.41) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL27629796 0.75 MEN1 (0.41) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL4634211 0.75 CYP1A2 (0.39) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL5418324 0.74 P2RX7 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL28003009 0.74 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAMAPT
Ketopinic Acid SCHEMBL2735035 0.74 KMT2A (0.53) MEN1KMT2AALDH1A1LMNAMAPT
Ketopinic Acid SCHEMBL16691935 0.74 KMT2A (0.53) MEN1KMT2AALDH1A1LMNAMAPT
Ketopinic Acid SCHEMBL21458724 0.74 KMT2A (0.53) MEN1KMT2AALDH1A1LMNAMAPT

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-6589945-B1 Treating human skin by inhibiting serine protease formation involving contacting the skin with a composition containing a sterol sulfate. COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2003-07-08 US disclosed