SCHEMBL7668477

SCHEMBL7668477

CCCCCCOc1ccc2c(ccc3cc(F)ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1A P35813 1/20 0.53
NR5A1 Q13285 1/20 0.46
THRA P10827 1/20 0.46
TSHR P16473 2/20 0.45
PDE2A O00408 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TP53 P04637 1/20 0.42
MTNR1A P48039 1/20 0.42
LTA4H P09960 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41

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
SCHEMBL7656268 0.98 PPM1A (0.54) PPM1ANR5A1THRATSHRPDE2A
SCHEMBL7658803 0.95 PPM1A (0.56) PPM1ATHRATSHRPDE2ACA12
SCHEMBL8724311 0.91 NR5A1 (0.55) NR5A1THRATSHRCA12CA1
SCHEMBL7662625 0.89 PPM1A (0.50) PPM1ATSHRCA12CA1CA2
SCHEMBL12259989 0.89 NR5A1 (0.53) NR5A1THRATSHRCA12CA1
SCHEMBL12278287 0.89 NR5A1 (0.53) NR5A1THRATSHRCA12CA1
SCHEMBL12259997 0.89 NR5A1 (0.53) NR5A1THRATSHRCA12CA1
SCHEMBL16519478 0.84 CA12 (0.51) PPM1ANR5A1THRACA12CA1
SCHEMBL347683 0.83 NR5A1 (0.62) NR5A1THRATSHRCA12CA1
SCHEMBL10642885 0.83 NR5A1 (0.62) NR5A1THRATSHRCA12CA1

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