SCHEMBL7111161

SCHEMBL7111161

CCC(C)Cc1cccc(O)c1CC(C)CC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
TSHR P16473 1/20 0.41
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HSPA5 P11021 1/20 0.34
IAPP P10997 3/20 0.34
HTR2A P28223 2/20 0.34
P4HB P07237 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HTR1A P08908 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
SCHEMBL27643856 0.88 TSHR (0.47) GABRA1GABRB2TSHRHDAC4HDAC2
SCHEMBL11284851 0.83 GABRA1 (0.53) GABRA1GABRB2TSHRHDAC4HDAC2
SCHEMBL28359972 0.83 GABRA1 (0.35) GABRA1GABRB2TSHRPOLBMAPK1
SCHEMBL3959615 0.82 TSHR (0.50) GABRA1GABRB2TSHRPOLBMAPK1
SCHEMBL23153080 0.82 TSHR (0.50) GABRA1GABRB2TSHRPOLBMAPK1
SCHEMBL27833287 0.80 BID (0.42) TSHRIAPPHTR1A
SCHEMBL258656 0.79 GABRA1 (0.63) GABRA1GABRB2TSHRPOLBMAPK1
Ammonia Solution, Strong SCHEMBL7544347 0.77 GABRA1 (0.61) GABRA1GABRB2TSHRPOLBMAPK1
SCHEMBL27494366 0.77 GABRA1 (0.61) GABRA1GABRB2TSHRPOLBMAPK1
SCHEMBL9325688 0.76 GABRA1 (0.65) GABRA1GABRB2TSHRHDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1290002-A1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS Basell Polyolefine GmbH (DE) 2003-03-12 EP disclosed
EP-1175424-A1 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF, AND ITS USE IN A CATALYST SYSTEM FOR PRODUCING POLYOLEFINS Basell Polyolefine GmbH (DE) 2002-01-30 EP disclosed
WO-2001090112-A1 CHEMICAL PRODUCTS SUITED FOR USE AS CO-CATALYSTS, METHOD FOR THE PREPARATION THEREOF AND THEIR USE IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2001-11-29 WO disclosed
WO-2000064906-A1 CHEMICAL COMPOUND, METHOD FOR THE PRODUCTION THEREOF, AND ITS USE IN A CATALYST SYSTEM FOR PRODUCING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2000-11-02 WO disclosed