SCHEMBL8928039

SCHEMBL8928039

Cc1ccc2c(c1C(=O)O)Cc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
GSR P00390 2/20 0.47
HSP90AA1 P07900 2/20 0.42
SRD5A1 P18405 1/20 0.41
HTR2B P41595 3/20 0.41
HTR7 P34969 2/20 0.41
HTR2C P28335 2/20 0.41
CYP1A2 P05177 1/20 0.41
ADRA2A P08913 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
PGR P06401 1/20 0.40
DRD2 P14416 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL31158183 0.82 HSP90AA1 (0.50) SRD5A2NPC1RAB9AGSRHSP90AA1
SCHEMBL3720118 0.82 HSP90AA1 (0.50) SRD5A2NPC1RAB9AGSRHSP90AA1
SCHEMBL529412 0.82 SRD5A2 (0.50) SRD5A2NPC1RAB9AGSRHSP90AA1
SCHEMBL3706194 0.81 HSP90AA1 (0.49) SRD5A2NPC1RAB9AGSRHSP90AA1
SCHEMBL30961640 0.81 HSP90AA1 (0.49) SRD5A2NPC1RAB9AGSRHSP90AA1
SCHEMBL29221449 0.79 SRD5A2 (0.44) SRD5A2NPC1RAB9AGSRHSP90AA1
Propionic Acid SCHEMBL28562227 0.78 NPC1 (0.46) SRD5A2NPC1RAB9AHSP90AA1HTR2B
Methyl Alcohol SCHEMBL14815698 0.78 NPC1 (0.46) SRD5A2NPC1RAB9AHTR2BHTR7
SCHEMBL29022366 0.77 SRD5A2 (0.56) SRD5A2NPC1RAB9AGSRHSP90AA1
SCHEMBL29413832 0.77 PNMT (0.47) SRD5A2NPC1RAB9AHTR2BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663030-A A PHENYL OR NORBORNANE DERIVATIVE AS AN ADDITIVE TO REDUCE HEAT AND ENERGY REQUIRED TO FUSE THE TONER AND TO REDUCE JAMMING OF THE EQUIPMENT XEROX CORPORATION (US) 1997-09-02 US claimed
US-5663030-A A PHENYL OR NORBORNANE DERIVATIVE AS AN ADDITIVE TO REDUCE HEAT AND ENERGY REQUIRED TO FUSE THE TONER AND TO REDUCE JAMMING OF THE EQUIPMENT XEROX CORPORATION (US) 1997-09-02 US disclosed