SCHEMBL9511993

SCHEMBL9511993

C=CC[C@H]1CC[C@H](c2ccc(F)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CCR2 P41597 2/20 0.36
USP30 Q70CQ3 1/20 0.36
USP5 P45974 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ESR2 Q92731 2/20 0.34
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CNR1 P21554 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33

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
SCHEMBL9512007 1.00 HTR2A (0.37) HTR2AHTR2CHTR2BCCR2USP30
SCHEMBL9979962 0.95 USP5 (0.35) HTR2AHTR2CHTR2BCCR2USP30
SCHEMBL9349590 0.95 USP5 (0.35) HTR2AHTR2CHTR2BCCR2USP30
SCHEMBL9349604 0.95 USP5 (0.35) HTR2AHTR2CHTR2BCCR2USP30
SCHEMBL9349609 0.95 USP5 (0.35) HTR2AHTR2CHTR2BCCR2USP30
SCHEMBL9250171 0.95 USP5 (0.35) HTR2AHTR2CHTR2BCCR2USP30
SCHEMBL9013765 0.93 ESR2 (0.35) HTR2AHTR2CHTR2BCCR2USP30
SCHEMBL9013772 0.93 ESR2 (0.35) HTR2AHTR2CHTR2BCCR2USP30
SCHEMBL2850582 0.90 CCR2 (0.35) HTR2AHTR2CHTR2BCCR2USP30
SCHEMBL2845403 0.88 HTR2A (0.37) HTR2AHTR2CHTR2BCCR2USP30

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318003-B1 A liquid crystal composition for twist nematic mode CHISSO CORP (JP) 1993-10-20 EP disclosed
US-4923632-A LOW THRESHOLD-VOLTAGE AND TEMPERATURE DEPENDENCY; CYCLOHEXYL-AND FLUORO-SUBSTITUTED BENZENE CHISSO CORPORATION (JP) 1990-05-08 US disclosed
EP-0318003-A2 A liquid crystal composition for twist nematic mode CHISSO CORPORATION (JP) 1989-05-31 EP disclosed
EP-0194879-B1 CYCLOHEXANE DERIVATIVE Chisso Corporation (JP) 1989-03-08 EP disclosed
US-4695398-A Cyclohexane derivative CHISSO CORPORATION (JP) 1987-09-22 US disclosed
EP-0194879-A1 Cyclohexane derivative Chisso Corporation (JP) 1986-09-17 EP disclosed