SCHEMBL9828501

SCHEMBL9828501

CC[C@H]1CC[C@H](CCC2CCC(c3ccc(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
AR P10275 2/20 0.36
KDM1A O60341 4/20 0.36
CHEK1 O14757 2/20 0.36
CYP2C9 P11712 1/20 0.35
FASN P49327 1/20 0.35
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
USP30 Q70CQ3 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
ENPP2 Q13822 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
SCHEMBL10524228 1.00 TRPV4 (0.37) TRPV4ARKDM1ACHEK1CYP2C9
SCHEMBL8053605 0.96 TRPV4 (0.40) TRPV4ARKDM1ACHEK1FASN
SCHEMBL7515347 0.96 TRPV4 (0.40) TRPV4ARKDM1ACHEK1FASN
SCHEMBL7736726 0.92 TRPV4 (0.37) TRPV4ARKDM1ACHEK1FASN
SCHEMBL7736721 0.92 TRPV4 (0.37) TRPV4ARKDM1ACHEK1FASN
SCHEMBL7900614 0.92 CYP2C9 (0.44) TRPV4ARKDM1ACHEK1CYP2C9
SCHEMBL7736719 0.92 TRPV4 (0.37) TRPV4ARKDM1ACHEK1FASN
SCHEMBL7900616 0.92 CYP2C9 (0.44) TRPV4ARKDM1ACHEK1CYP2C9
SCHEMBL7736716 0.92 TRPV4 (0.37) TRPV4ARKDM1ACHEK1FASN
SCHEMBL9828820 0.92 CYP2C9 (0.44) TRPV4ARKDM1ACHEK1CYP2C9

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-0280902-B1 CYCLOHEXANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1991-11-27 EP disclosed
US-4828970-A Method for processing a light-sensitive silver halide color photographic material by controlling the pH value of the bleach fixing solution KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1989-05-09 US disclosed
EP-0243096-A2 Method for processing a light-sensitive silver halide color photographic material KONICA CORPORATION (JP) 1987-10-28 EP disclosed