SCHEMBL7523248

SCHEMBL7523248

O=C(C1C2CC3CC(C2)CC1(c1ccccc1O)C3)C1C2CC3CC(C2)CC1(c1ccccc1O)C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RX7 Q99572 3/20 0.40
P2RX4 Q99571 1/20 0.40
FAAH O00519 2/20 0.39
NPC1 O15118 1/20 0.36
GBA1 P04062 1/20 0.36
RAB9A P51151 1/20 0.36
HSD11B1 P28845 2/20 0.36
CNR2 P34972 3/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL1269355 0.77 MAPT (0.37) EPHX2ALDH1A1KDM4EMAPTHPGD
SCHEMBL30978073 0.77 MAPT (0.37) EPHX2ALDH1A1KDM4EMAPTHPGD
SCHEMBL7523253 0.74 FAAH (0.45) EPHX2FAAHMEN1KMT2A
Acrylic Acid SCHEMBL11105271 0.73 ALDH1A1 (0.36) EPHX2ALDH1A1KDM4EMAPTHPGD
SCHEMBL5475255 0.73 HSD11B1 (0.44) EPHX2ALDH1A1KDM4EHPGDTSHR
SCHEMBL29809124 0.71 MEN1 (0.48) EPHX2ALDH1A1KDM4EMAPTHPGD
SCHEMBL345587 0.71 MEN1 (0.48) EPHX2ALDH1A1KDM4EMAPTHPGD
SCHEMBL8064643 0.68 MEN1 (0.50) EPHX2ALDH1A1MAPTFAAHCNR2
SCHEMBL237723 0.65 GRIN2D (0.43) EPHX2ALDH1A1KDM4EMAPTHPGD
SCHEMBL8632526 0.65 ALOX5AP (0.37) ALDH1A1KDM4EMAPTHPGDALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869938-B1 NOVEL VINYL SULFIDE COMPOUNDS AND A PROCESS FOR THEIR PREPARATION LUMIGEN INC (US) 2002-10-16 EP disclosed
EP-0842168-B1 PROCESS FOR THE PREPARATION OF 1,2-DIOXETANE COMPOUNDS AND NOVEL SULFUR-SUBSTITUTED 1,2-DIOXETANE COMPOUNDS AS INTERMEDIATES LUMIGEN INC (US) 2002-02-20 EP disclosed