SCHEMBL7686536

SCHEMBL7686536

CCCCCCCCCCC#Cc1cccc(CC=CO)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CYP2D6 P10635 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
GGPS1 O95749 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL7686532 1.00 KCNH2 (0.43) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL7686533 1.00 KCNH2 (0.43) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL10754443 0.82 KCNH2 (0.49) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL5678410 0.81 KCNH2 (0.43) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL5676711 0.81 KCNH2 (0.43) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL10751583 0.79 KCNH2 (0.49) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL2811355 0.76 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL10751820 0.76 KCNH2 (0.51) KCNH2FFAR1FFAR4MMP2MMP12
SCHEMBL3175981 0.76 KCNH2 (0.46) KCNH2FFAR1FFAR4CYP2D6HRH3
SCHEMBL10801717 0.75 FFAR1 (0.51) KCNH2FFAR1FFAR4CYP2D6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5557006-A 1-Alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-09-17 US claimed
US-6500849-B1 ADMINISTERING ANTIINFLAMMATORY, ANTIPROLIFERATIVE, NOOTROPIC OR ANTIGROWTH AGENTS, SUCH AS 6-(1-DODECYNYL)-2-PYRIDINE-CARBOXALDEHYDE AND ENANTIOMORPHS TO MAMMALS; ALZHEIMERS DISEASE AVENTIS PHARMACEUTICALS INC. 2002-12-31 US disclosed
US-5977147-A ANTITUMOR HOECHST MARION ROUSSEL (US) 1999-11-02 US disclosed
US-5614631-A ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS, NOOTROPIC AGENTS, BACTERICIDES, FUNGICIDES HOECHST MARION ROUSSEL, INC. (US) 1997-03-25 US disclosed
US-5597838-A REDUCING INFLAMMATION AND CELL PROLIFERATION, RELIEVING MEMORY DYSFUNCTION, INHIBITING BACTERIAL AND FUNGAL GROWTH HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1997-01-28 US disclosed
US-5574164-A 1-alkyl-,1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds HOESCHT ROUSSEL PHARMACEUTICALS INC. (US) 1996-11-12 US disclosed
US-5571923-A 3-/1-DODECYL/-5-ISOXAZOLEMETHANOL INTERMEDIATE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-11-05 US disclosed
US-5565584-A CHEMICAL INTERMEDIATES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-10-15 US disclosed
US-5557006-A 1-Alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-09-17 US disclosed
US-5550247-A ANTIINFLAMMATORY AGENT, ANTITUMOR AGENT, COGNITION ACTIVATORS, BACTERICIDES, FUNGICIDES HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-08-27 US disclosed
US-5534640-A REDUCING INFLAMMATION AND CELL PROLIFERATION, COGNITION ACTIVATORS, BACTERIOSTATS, FUNGISTATS HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed
US-5534636-A ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENT, COGNITION ACTIVATORS,BACTERICIDES, AND FUNGICIDES HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed
US-5519062-A ANTIINFLAMMATORY HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-05-21 US disclosed
US-5488063-A ANTIINFLAMMATORY, ANTICARACINOGENIC AGENTS; BACTERICIDES, FUNGICIDES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-01-30 US disclosed
US-5488061-A ANTIINFLAMMATORY, ANTICARACINOGENIC AGENTS; BACTERICIDES, FUNGICIDES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-01-30 US disclosed
US-5360811-A 1-alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds as anti-inflammatory agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-11-01 US disclosed