SCHEMBL6470879

SCHEMBL6470879

CC1=C(C)C(C)c2cccc(-c3ccccc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
BRD4 O60885 1/20 0.33
HNF4A P41235 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2A6 P11509 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP2B6 P20813 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL19638186 0.77
SCHEMBL19638182 0.76
Hydrochloric Acid SCHEMBL16669319 0.76
Hydrochloric Acid SCHEMBL16669318 0.75
SCHEMBL29458527 0.75 ALDH1A1 (0.35) ALDH1A1CYP2A6
SCHEMBL7258798 0.75 ALDH1A1 (0.35) ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL5689035 0.74 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4
SCHEMBL1941203 0.74 GPR3 (0.38) HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL31039637 0.73
Hydrochloric Acid SCHEMBL6129927 0.73

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-114174061-A Fabric comprising unidirectional reinforcing fibers LM风力发电公司 2022-03-11 CN disclosed
CN-103201102-A Epoxy resin composition for fiber reinforced composite material, prepreg, and fiber reinforced composite material TORAY INDUSTRIES 2013-07-10 CN disclosed
EP-1188763-B1 Metallocenes and their use in olefin polymerisation BASELL POLYOLEFINE GMBH (DE) 2005-03-09 EP disclosed
EP-0659757-B1 Metallocenes BASELL POLYOLEFINE GMBH (DE) 2002-03-27 EP disclosed
EP-1188763-A2 Metallocenes and their use in olefin polymerisation Basell Polyolefine GmbH (DE) 2002-03-20 EP disclosed
EP-0659757-A1 Metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-28 EP disclosed