SCHEMBL31348024

SCHEMBL31348024

CC=Cc1ccccc1CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30
SIGMAR1 Q99720 2/20 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
SCHEMBL17160012 1.00 GABRA1 (0.45) GABRA1GABRB2MEN1KMT2ALMNA
SCHEMBL10556870 0.90 GABRA1 (0.50) GABRA1GABRB2CTSSCTSKPTGER4
SCHEMBL10556877 0.90 GABRA1 (0.50) GABRA1GABRB2CTSSCTSKPTGER4
SCHEMBL2921819 0.83 GABRA1 (0.48) GABRA1GABRB2CTSSCTSKSIGMAR1
SCHEMBL8120563 0.81 GABRA1 (0.50) GABRA1GABRB2MEN1KMT2ACTSS
SCHEMBL6546294 0.81 NFE2L2 (0.46) GABRA1GABRB2PTGER4PTGER3PTGER2
SCHEMBL6546293 0.81 NFE2L2 (0.46) GABRA1GABRB2PTGER4PTGER3PTGER2
SCHEMBL16105670 0.81 NFE2L2 (0.46) GABRA1GABRB2PTGER4PTGER3PTGER2
SCHEMBL17154229 0.79 GABRA1 (0.41) GABRA1GABRB2PTGER4PTGER3PTGER2
SCHEMBL31283833 0.79 CDK4 (0.49) GABRA1GABRB2MEN1KMT2ALMNA

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-3362169-B1 BLOCK COPOLYMERS HAVING AMINE OR PHOSPHINE FUNCTIONALIZED END BLOCKS KRATON POLYMERS US LLC (US) 2025-01-15 EP disclosed