SCHEMBL8717020

SCHEMBL8717020

OC=CCc1ccccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
KMT2A Q03164 1/20 0.47
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
FOLH1 Q04609 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
BCL2L1 Q07817 1/20 0.40
CYP2A6 P11509 1/20 0.40
PTGER1 P34995 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
HTR7 P34969 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
BACE1 P56817 1/20 0.37
KCNA5 P22460 2/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL8627012 0.94 DPP4 (0.44) DPP4KMT2APDCD1CD274FOLH1
SCHEMBL25795187 0.87 DPP4 (0.46) DPP4KMT2APDCD1CD274FOLH1
SCHEMBL7594295 0.80 CA1 (0.38) PTGER1PTGER4PTGER3PTGER2
SCHEMBL28348557 0.80 DPP4 (0.55) DPP4KMT2APDCD1CD274FOLH1
SCHEMBL170431 0.80 DPP4 (0.55) DPP4KMT2APDCD1CD274FOLH1
SCHEMBL10949035 0.79 KMT2A (0.51) DPP4KMT2APDCD1CD274FOLH1
SCHEMBL1082101 0.79 GPBAR1 (0.42) CYP2A6CYP11B1CYP11B2KCNA5KCNH2
SCHEMBL10599731 0.78 PTGER4 (0.50) DPP4KMT2APDCD1CD274ALDH1A1
SCHEMBL10599724 0.78 PTGER4 (0.50) DPP4KMT2APDCD1CD274ALDH1A1
SCHEMBL5889006 0.77 DPP4 (0.47) DPP4KMT2APDCD1CD274FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741438-A Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as an effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-21 US disclosed
EP-0395390-B1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-09-28 EP disclosed
EP-0524409-A1 Thermosetting bismaleinimide molding masses BASF Aktiengesellschaft (DE) 1993-01-27 EP disclosed
US-5143969-A Composites with reinforcing fibers BASF AKTIENGESELLSCHAFT (DE) 1992-09-01 US disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP disclosed