SCHEMBL11728540

SCHEMBL11728540

CC(C)C1C2C=CC(C2)C1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL22807308 0.82 MEN1 (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL22807309 0.82 MEN1 (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL23481802 0.82 MEN1 (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL23455861 0.82 MEN1 (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL11611620 0.81 MEN1 (0.33) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL11756467 0.77 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL8515580 0.77 ALDH1A1 (0.53) MEN1KMT2ATSHRALDH1A1
SCHEMBL24226197 0.77
SCHEMBL31534039 0.77 ALDH1A1 (0.53) MEN1KMT2ATSHRALDH1A1
SCHEMBL23455898 0.73

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
CN-117715975-A Polymer alloy, hose for high-pressure gas, and storage container for high-pressure gas AGC株式会社 2024-03-15 CN disclosed
CN-112601776-A Polyamide and polyamide composition 株式会社可乐丽 2021-04-02 CN disclosed
US-4033982-A REACTING NORBORNENES WITH SULFUR GENERAL ELECTRIC COMPANY (US) 1977-07-05 US disclosed