SCHEMBL8961279

SCHEMBL8961279

CCC[C@H]1CC[C@H](C2CCC(c3ccc(C(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
POLQ O75417 1/20 0.36
DRD2 P14416 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRNB2 P17787 1/20 0.35
DRD4 P21917 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
DRD3 P35462 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
HTR2A P28223 1/20 0.34

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
SCHEMBL8961337 1.00 KDM1A (0.44) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL8961284 1.00 KDM1A (0.44) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL13002327 0.96 KDM1A (0.48) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL12032011 0.95 KDM1A (0.44) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL12032230 0.95 KDM1A (0.44) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL13002919 0.92 KDM1A (0.43) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL13002920 0.90 KDM1A (0.46) KDM1ACYP2C9POLQDRD2CHRM2
SCHEMBL10043158 0.90 KDM1A (0.41) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL14526185 0.90 KDM1A (0.44) KDM1ACYP2C9ALDH1A1LMNAMAPT
SCHEMBL9615642 0.89 CYP2C9 (0.44) KDM1ACYP2C9ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502407-B1 Nematic liquid-crystal composition for active matrix application SHARP KK (JP) 1996-02-07 EP claimed
EP-0502407-B1 Nematic liquid-crystal composition for active matrix application SHARP KK (JP) 1996-02-07 EP disclosed
EP-0502406-B1 Nematic liquid-crystal composition for active matrix application SHARP KK (JP) 1995-11-15 EP disclosed
US-5330679-A Low temperature stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-19 US disclosed
US-5308543-A Fluorinated carbocyclic compounds; high voltage holding ratio; low temperature stability MERCK PATENT GESELLSCHAFT MIT BESRANKTER HAFTUNG (DE) 1994-05-03 US disclosed
EP-0502406-A1 Nematic liquid-crystal composition for active matrix application SHARP CORPORATION (JP) 1992-09-09 EP disclosed
EP-0502407-A1 Nematic liquid-crystal composition for active matrix application SHARP CORPORATION (JP) 1992-09-09 EP disclosed