SCHEMBL27985374

SCHEMBL27985374

CC(C)(C)C1CCC(SOSC2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL2813665 0.78
SCHEMBL15271483 0.76 EPHX1 (0.34) MEN1HTTKMT2AEPHX1
SCHEMBL15271861 0.76 EPHX1 (0.34) MEN1HTTKMT2AEPHX1
SCHEMBL22797 0.74
SCHEMBL5615220 0.74 EPHX1 (0.42) MEN1HTTKMT2AEPHX1
SCHEMBL5270433 0.74
SCHEMBL15271296 0.74 EPHX1 (0.33) MEN1HTTKMT2AEPHX1
SCHEMBL15271199 0.72 EPHX1 (0.32) EPHX1
SCHEMBL19292386 0.72 EPHX1 (0.32) EPHX1
SCHEMBL22387688 0.72 EPHX1 (0.32) EPHX1

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
CN-104220466-B For the method preparing polydiene 株式会社普利司通 2016-09-21 CN disclosed
CN-104220466-A Process for producing polydienes BRIDGESTSONE CORP 2014-12-17 CN disclosed