SCHEMBL8107856

SCHEMBL8107856

C=CC(O)c1cc(C)cc(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
TACR1 P25103 1/20 0.33
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CA2 P00918 1/20 0.31
TYR P14679 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ERN1 O75460 1/20 0.31
TSHR P16473 1/20 0.30
HSPA5 P11021 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
SCHEMBL14307034 0.82 ERN1 (0.38) ALDH1A1ERN1TSHR
SCHEMBL28263418 0.79 RXRA (0.40) RXRARXRBGABRA1GABRB2TACR1
SCHEMBL2422687 0.79 RXRB (0.39) RXRARXRBGABRA1GABRB2
SCHEMBL14510212 0.73 LMNA (0.43) ALDH1A1TYRSMN1; SMN2TSHR
SCHEMBL7082656 0.72 POLB (0.38) RXRARXRBGABRA1GABRB2TACR1
SCHEMBL21695850 0.71 RXRA (0.35) RXRARXRBGABRA1GABRB2TACR1
SCHEMBL15836404 0.71 POLB (0.37) RXRARXRBGABRA1GABRB2TACR1
SCHEMBL2427279 0.70 RXRB (0.33) RXRARXRBGABRA1GABRB2
SCHEMBL316288 0.68 TSHR (0.50) RXRARXRBGABRA1GABRB2TACR1
SCHEMBL1655430 0.68 GABRA1 (0.55) RXRARXRBGABRA1GABRB2TACR1

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
EP-0991696-A1 FUNCTIONALISED CARBON MONOXIDE COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed
WO-1999000443-A1 FUNCTIONALISED CARBON MONOXIDE COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 WO disclosed