SCHEMBL11209771

SCHEMBL11209771

CCc1cccc(-c2ccccc2)c1C(C)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.41
PDCD1 Q15116 1/20 0.41
KMT2A Q03164 1/20 0.37
SCN8A Q9UQD0 1/20 0.36
ACP3 P15309 1/20 0.36
HTR7 P34969 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSA P10619 4/20 0.35
DPP4 P27487 1/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL11202404 0.89 PDCD1 (0.41) CD274PDCD1KMT2AALDH1A1DPP4
SCHEMBL11206358 0.88 CD274 (0.41) CD274PDCD1KMT2ASCN8AHTR7
SCHEMBL11204881 0.84 ESR1 (0.38) CD274PDCD1ACP3ALDH1A1CTSA
SCHEMBL11173689 0.81 PDCD1 (0.42) CD274PDCD1KMT2ALMNAL3MBTL1
SCHEMBL10360593 0.79 PDCD1 (0.46) CD274PDCD1KMT2AALDH1A1DPP4
SCHEMBL25928973 0.79 ACHE (0.38) KMT2ASCN8AALDH1A1LMNACTSA
SCHEMBL11203836 0.78 CD274 (0.37) CD274PDCD1KMT2ACTSADPP4
SCHEMBL10818292 0.76 PDCD1 (0.43) CD274PDCD1KMT2AALDH1A1DPP4
SCHEMBL3079111 0.76 PDCD1 (0.43) CD274PDCD1KMT2AALDH1A1DPP4
SCHEMBL11209769 0.76 DHFR (0.38) KMT2AACP3ALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4371726-A Composition suitable for mechanical power transmission and process for operating traction drives NIPPON STEEL CHEMICAL CO., LTD. (JP) 1983-02-01 US disclosed