SCHEMBL9397198

SCHEMBL9397198

CC1CCCC(CCC2CCCC(C)C2C)C1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
JAK2 O60674 1/20 0.32
MITF O75030 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL11904003 0.87 CA1 (0.46) CA1CA2CA4
SCHEMBL2287894 0.86 CA1 (0.31) CA1CA2CA4JAK2MITF
SCHEMBL25681701 0.86 CA1 (0.31) CA1CA2CA4JAK2MITF
SCHEMBL11903761 0.85
SCHEMBL22551562 0.85
SCHEMBL11903856 0.84 CYP1A2 (0.41) CA1CA2CA4
SCHEMBL11904238 0.84
SCHEMBL12805834 0.80 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11903706 0.80
SCHEMBL7652473 0.79 JAK2 (0.30) JAK2MITFSMN1; SMN2

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
JP-6041362-A None JP disclosed
JP-H0641362-A POLYOLEFINIC POLYMER MATERIAL COMPOSITION ASAHI DENKA KOGYO KK 1994-02-15 JP disclosed