SCHEMBL7707734

SCHEMBL7707734

CCc1c(CC)n(C)c2ccccc12.Cc1ccc2cc[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC2A1 P11166 1/20 0.36
BACE1 P56817 2/20 0.34
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.33
HIF1A Q16665 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 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
SCHEMBL7710952 0.77 KDM4E (0.58) KDM4ELMNAHTTALDH1A1TSHR
SCHEMBL11994 0.71 AHR (0.56) KDM4EALDH1A1CYP1A2HSD17B10ESR1
SCHEMBL29556250 0.71 AHR (0.56) KDM4EALDH1A1CYP1A2HSD17B10ESR1
SCHEMBL19539157 0.68 KDM4E (0.60) KDM4ELMNAHTTALDH1A1TSHR
Ethyne SCHEMBL28266950 0.68 AHR (0.52) KDM4EALDH1A1CYP1A2GABRPGABRD
SCHEMBL1925036 0.65 GPR3 (0.58) KDM4ELMNAHTTALDH1A1TSHR
SCHEMBL15107054 0.65 GPR3 (0.52) KDM4ELMNAHTTALDH1A1TSHR
SCHEMBL17291794 0.65 MEN1 (0.48) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL10237505 0.65 ALDH1A1 (0.48) KDM4ELMNAHTTALDH1A1TSHR
Pyridine SCHEMBL28518714 0.63 MEN1 (0.43) KDM4EALDH1A1HSD17B10ESR1CYP19A1

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-6386113-B1 ODORS FOR WEAPONS ECOLOGICAL TECHNOLOGIES CORPORATION 2002-05-14 US disclosed
US-6352032-B1 CONTAINMENT VESSEL MAY COMPRISE A ?PAINT BALL?; TOXICITY CATEGORY RATING OF AT LEAST III. ECOLOGICAL TECHNOLOGIES CORPORATION 2002-03-05 US disclosed
US-6242489-B1 ORGANIC SULFUR COMPOUND AND INTENSIFIER SUCH AS SKATOLE; NON-LETHAL WARFARE ECOLOGICAL TECHNOLOGIES CORPORATION 2001-06-05 US disclosed
EP-1086061-A2 MALODORANT COMPOSITIONS, RELATED NON-LETHAL WEAPON SYSTEMS, AND METHODS OF THEIR USE VRP Eco-Tek, Corp. (US) 2001-03-28 EP disclosed
WO-1999065847-A2 MALODORANT COMPOSITIONS, RELATED NON-LETHAL WEAPON SYSTEMS, AND METHODS OF THEIR USE VRP ECO-TEK, CORP. (US) 1999-12-23 WO disclosed