SCHEMBL8635398

SCHEMBL8635398

CC(C)(C)c1cccc(Oc2ccc(O)c(C(F)(F)F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 4/20 0.47
AR P10275 4/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CETP P11597 1/20 0.39
ACHE P22303 1/20 0.39
HSD17B1 P14061 1/20 0.38

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
SCHEMBL8636487 0.89 THRA (0.46) ARCYP2C9CYP2C19ALDH1A1POLB
SCHEMBL8633319 0.86 ESRRA (0.54) ESRRAARALDH1A1HPGDALOX15
SCHEMBL5180935 0.82 AR (0.44) ARCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL16648399 0.82 ESRRA (0.49) ESRRAARALDH1A1THRATHRB
SCHEMBL8633891 0.82 SMN1; SMN2 (0.50) ESRRAARALDH1A1ALOX15POLB
SCHEMBL8632090 0.81 AR (0.47) ESRRAARALDH1A1MAPTHSD17B1
SCHEMBL8633068 0.81 AR (0.49) ESRRAARTHRATHRB
SCHEMBL13216570 0.81 CYP2C9 (0.51) CYP3A4CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL12733577 0.80 ESRRA (0.54) ESRRAARCYP2C9ALDH1A1ALOX15
SCHEMBL22889046 0.80 LTA4H (0.48) ARCYP3A4CYP2C9CYP2C19ALDH1A1

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-0648729-B1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL CO (JP) 1998-07-15 EP disclosed
US-5698702-A INTERMEDIATES FOR INSECTICIDES, ACARICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-16 US disclosed
US-5530015-A Dihaloprene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient, and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-25 US disclosed
EP-0648729-A1 Dihalopropene compound, insecticide/acaricide containing said dihalopropene compound as active ingredient and intermediate compound for use in production of said dihalopropene compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed