SCHEMBL7729561

SCHEMBL7729561

CCCCC[C@H]1CC[C@H](CCC2CCC(c3ccc(C(F)(F)Oc4ccc(C(F)(F)F)cc4)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.37
SPHK1 Q9NYA1 2/20 0.36
LSS P48449 4/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
P2RY14 Q15391 1/20 0.34
ADAMTS4 O75173 1/20 0.34
ADAMTS5 Q9UNA0 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
SCHEMBL7729557 1.00 HTR2C (0.40) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL7729566 1.00 HTR2C (0.40) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL7729750 0.99 HTR2C (0.40) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL7729755 0.99 HTR2C (0.40) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL7731697 0.96 HTR2C (0.40) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL7731690 0.96 HTR2C (0.40) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL7731692 0.96 HTR2C (0.40) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL7731677 0.95 HTR2C (0.38) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL7731687 0.95 HTR2C (0.38) HTR2CMAPTALDH1A1LMNACYP2C9
SCHEMBL7731683 0.95 HTR2C (0.38) HTR2CMAPTALDH1A1LMNACYP2C9

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
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed