SCHEMBL9625376

SCHEMBL9625376

CCCCC[C@H]1CC[C@H](C2CCC(CCC=C(F)F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
PKM P14618 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.34
LSS P48449 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
CCR2 P41597 1/20 0.31
EPHX1 P07099 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL9625379 1.00 CYP1A2 (0.37) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9625382 1.00 CYP1A2 (0.37) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9624990 0.98 MEN1 (0.38) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9626621 0.98 MEN1 (0.38) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9625337 0.98 MEN1 (0.38) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9624986 0.98 MEN1 (0.38) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9626037 0.98 MEN1 (0.38) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9626615 0.98 MEN1 (0.38) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9626450 0.98 MEN1 (0.38) CYP1A2PKMHTTLMNAMAPK1
SCHEMBL9626454 0.98 MEN1 (0.38) CYP1A2PKMHTTLMNAMAPK1

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-0325796-B1 A LIQUID CRYSTAL COMPOUND AND A MIXTURE CONTAINING THE SAME Chisso Corporation (JP) 1992-03-11 EP disclosed
US-4877548-A STABLE TO HEAT, LIGHT, ELECTRICITY AND MOISTURE CHISSO CORPORATION (JP) 1989-10-31 US disclosed
EP-0325796-A1 A liquid crystal compound and a mixture containing the same Chisso Corporation (JP) 1989-08-02 EP disclosed