SCHEMBL9013349

SCHEMBL9013349

CCCCCC1(CCCCC2CCC(c3ccc([N+](=O)[O-])c(F)c3)CC2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.35
HPGD P15428 2/20 0.35
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
S1PR1 P21453 5/20 0.32
SGPL1 O95470 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
S1PR3 Q99500 1/20 0.31
LSS P48449 1/20 0.31
GPR174 Q9BXC1 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL9013211 0.86 OPRL1 (0.35) S1PR1SGPL1MEN1KMT2AALDH1A1
SCHEMBL9013258 0.83 OPRL1 (0.35) S1PR1SGPL1MEN1KMT2AALDH1A1
SCHEMBL9013693 0.83 OPRL1 (0.33) S1PR1SGPL1MEN1KMT2AALDH1A1
SCHEMBL9013621 0.82 KDM1A (0.36) S1PR1SGPL1MEN1KMT2AS1PR4
SCHEMBL9013393 0.81 MEN1 (0.34) MEN1KMT2AMAPTCYP3A4CYP2C8
SCHEMBL9013289 0.81 CYP2C9 (0.42) S1PR1SGPL1MEN1KMT2AALDH1A1
SCHEMBL9013605 0.81 CYP2C9 (0.35) S1PR1SGPL1ALDH1A1LMNAMAPT
SCHEMBL5886441 0.80 CYP2C9 (0.45) ATMTDP1MEN1KMT2AALDH1A1
SCHEMBL5886438 0.80 CYP2C9 (0.45) ATMTDP1MEN1KMT2AALDH1A1
SCHEMBL9013468 0.79 OPRL1 (0.39) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0568040-B1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORP (JP) 1996-12-04 EP disclosed
US-5468421-A Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1995-11-21 US disclosed
EP-0568040-A1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1993-11-03 EP disclosed