SCHEMBL11475784

SCHEMBL11475784

CCOC(=O)C(C/C=C(/C)Cl)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.37
LMNA P02545 4/20 0.37
HSD17B10 Q99714 2/20 0.37
MMP8 P22894 1/20 0.34
GLO1 Q04760 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALPL P05186 1/20 0.32
POLB P06746 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL11475788 1.00 MEN1 (0.44) MEN1KMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL10963096 0.89 MEN1 (0.38) MEN1KMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL10963100 0.89 MEN1 (0.38) MEN1KMT2ACYP2C19CYP1A2CYP3A4
SCHEMBL7694807 0.85 LMNA (0.39) MEN1KMT2ACYP2C19ALDH1A1LMNA
SCHEMBL11807943 0.79 ALDH1A1 (0.34) MEN1KMT2ACYP2C19ALDH1A1LMNA
SCHEMBL3603249 0.79 ALDH1A1 (0.41) MEN1KMT2ACYP2C19ALDH1A1LMNA
SCHEMBL3607061 0.77 ALDH1A1 (0.39) MEN1KMT2ACYP2C19TSHRALDH1A1
SCHEMBL9190299 0.76 ALDH1A1 (0.42) MEN1KMT2ACYP2C19ALDH1A1LMNA
SCHEMBL10870370 0.76 ALDH1A1 (0.38) MEN1KMT2ACYP2C19ALDH1A1LMNA
SCHEMBL10870379 0.76 ALDH1A1 (0.38) MEN1KMT2ACYP2C19ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4189431-A CYCLIZATION OF POLYENINE TO POLYCYCLIC COMPOUND HAVING CYCLOPENTANO RING The Board of Trustees of Leland Stanford Junior University (US) 1980-02-19 US disclosed
US-4129599-A A-Norsteroids THE BOARD OF TRUSTEES OF LELAND STANFORD JR. UNIVERSITY (US) 1978-12-12 US disclosed
US-4064185-A Olefinically unsaturated substituents at C-11 of steroid cyclization precursors THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 1977-12-20 US disclosed
US-4055603-A HORMONES THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 1977-10-25 US disclosed
US-4032579-A POLY-UNSATURATED HYDROXY-ALKYNYL CYCLOPENTENOL THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 1977-06-28 US disclosed