SCHEMBL7668461

SCHEMBL7668461

COc1ccc2c(c1)CCc1cc(F)ccc1-2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.57
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MPO P05164 1/20 0.50
BCL2 P10415 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
CYP19A1 P11511 2/20 0.48
CYP11B2 P19099 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
GLA P06280 2/20 0.47
MIF P14174 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA1 P30542 1/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL17108416 0.88 MPO (0.59) CYP1A2CYP2D6MPOBCL2KDM4E
SCHEMBL24502858 0.81 MAPK14 (0.46) MAPK14CYP1A2CYP2D6MPO
SCHEMBL7659823 0.81 CYP19A1 (0.47) MAPK14MAPTCYP19A1CYP11B2L3MBTL1
SCHEMBL15869785 0.79 MPO (0.51) CYP1A2CYP2D6MPOBCL2KDM4E
SCHEMBL7665423 0.79 CYP1A2 (0.48) CYP1A2CYP2D6MPOBCL2KDM4E
SCHEMBL7664100 0.79 CYP24A1 (0.59) MAPK14CYP1A2CYP2D6MPOBCL2
SCHEMBL3141978 0.79 MPO (0.54) CYP1A2CYP2D6MPOBCL2KDM4E
SCHEMBL7667020 0.78 MAOB (0.49) MAPK14MAPTALDH1A1RAB9ANPC1
SCHEMBL7664743 0.78 SLC2A1 (0.48) MAPK14
SCHEMBL7284296 0.78 ALDH1A1 (0.55) MAPK14CYP1A2CYP2D6MPOBCL2

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-6495220-B2 WITH POSITIVE DIELECTRIC ANISOTROPY AND FAVORABLE VISCOSITY; THERMAL, LIGHT AND ULTRAVIOLET STABILITY; USE IN PORTABLE TELEPHONES AND NOTEBOOK COMPUTERS CLARIANT INTERNATIONAL LTD. (CH) 2002-12-17 US disclosed
US-20010023935-A1 With positive dielectric anisotropy and favorable viscosity; thermal, light and ultraviolet stability; use in portable telephones and notebook computers CLARIANT INTERNATIONAL LTD. (CH) 2001-09-27 US disclosed