SCHEMBL6911871

SCHEMBL6911871

CC(C)Cc1ccc2c(c1)CC=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
PTGS2 P35354 4/20 0.33
PTGS1 P23219 3/20 0.33
LMNA P02545 3/20 0.33
CYP2C9 P11712 3/20 0.33
ESR1 P03372 3/20 0.33
AKR1C3 P42330 2/20 0.33
CXCR1 P25024 2/20 0.33
CXCR2 P25025 2/20 0.33
ALOX5 P09917 2/20 0.33
NFKB1 P19838 2/20 0.33
HTR2A P28223 2/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
ALB P02768 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
SCHEMBL6911079 0.86 GABRA1 (0.41) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL112142 0.81 TBXAS1 (0.39) PTGS2PTGS1LMNACYP2C9ESR1
SCHEMBL21694424 0.76 ESR1 (0.30) ESR1TSHRALDH1A1TRPA1
SCHEMBL21694417 0.76 HRH3 (0.34) KMT2A
SCHEMBL27419625 0.75 PARP1 (0.43) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL5320539 0.74 SLC7A5 (0.53) PTGS2PTGS1HTR2AALOX15KDM4E
SCHEMBL21942922 0.73 XDH (0.35) GABRA1GABRB2MEN1KMT2APOLB
SCHEMBL6912121 0.72 LMNA (0.36) PTGS1LMNAALOX12ALDH1A1HPGD
SCHEMBL9572946 0.71 GABRA1 (0.38) GABRA1GABRB2PTGS2PTGS1LMNA
SCHEMBL21615080 0.71 GABRA1 (0.38) GABRA1GABRB2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1189435-C Novel transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2005-02-16 CN disclosed
EP-0969010-B1 Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2004-09-22 EP disclosed
US-6352953-B1 TRANSITION METAL COMPLEX HAVING 5-MEMBERED RING FORMED BY TRANSITION METAL COMPOUND OF GROUP IVB, TWO CARBONS, METAL OF GROUP IIIA AND HYDROGEN JAPAN POLYOLEFINS CO., LTD. (JP) 2002-03-05 US disclosed
US-6150544-A Transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO., LTD. (JP) 2000-11-21 US disclosed
CN-1240782-A Novel transition metal compound and catalyst containing the same for polymerization of olefins JAPAN POLYOLEFINS CO LTD (JP) 2000-01-12 CN disclosed
EP-0969010-A2 Transition metal compound and catalyst containing the same for polymerization of olefins Japan Polyolefins Co., Ltd. (JP) 2000-01-05 EP disclosed