SCHEMBL9476554

SCHEMBL9476554

FC=CC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP5 P45974 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CCR2 P41597 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
USP30 Q70CQ3 1/20 0.33
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ESR2 Q92731 1/20 0.31
CNR1 P21554 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
HCRTR2 O43614 2/20 0.30
KDM1A O60341 2/20 0.30
MAOB P27338 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
SCHEMBL9476544 1.00 USP5 (0.34) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9476548 1.00 USP5 (0.34) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9476534 1.00 USP5 (0.34) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9476541 1.00 USP5 (0.34) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9475789 0.96 HTR2A (0.36) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9475808 0.96 HTR2A (0.36) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9475794 0.96 HTR2A (0.36) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9475801 0.96 HTR2A (0.36) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9477527 0.91 ESR2 (0.36) USP5HDAC6CCR2HTR2AHTR2C
SCHEMBL9477547 0.91 ESR2 (0.36) USP5HDAC6CCR2HTR2AHTR2C

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-0377469-B1 A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-10-06 EP disclosed
US-5183587-A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-02-02 US disclosed
EP-0377469-A1 A liquid crystalline compound CHISSO CORPORATION (JP) 1990-07-11 EP disclosed