SCHEMBL25344995

SCHEMBL25344995

CC(C)C1CCC(C(O)CC(O)C2CCC(C(C)C)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SHBG P04278 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
SCHEMBL12257627 0.81
SCHEMBL11890362 0.81
SCHEMBL11890359 0.81
SCHEMBL7895924 0.80 TP53 (0.44) TP53KDM4EGMNNLMNAMAPT
SCHEMBL13212040 0.78 TP53 (0.32) TP53SHBG
SCHEMBL10987807 0.77
SCHEMBL22462729 0.76 NOS3 (0.33) SHBGROCK2ROCK1
SCHEMBL8677451 0.76 NOS3 (0.33) SHBGROCK2ROCK1
SCHEMBL5422 0.76
SCHEMBL6854155 0.75 GAA (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2662434-B2 Use of specific compounds for enhancing odours SYMRISE AG (DE) 2023-08-16 EP disclosed