SCHEMBL9635272

SCHEMBL9635272

C=CC(C)c1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.50
RXRB P28702 6/20 0.50
RXRG P48443 2/20 0.50
GRIA4 P48058 1/20 0.47
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RARB P10826 2/20 0.42
SRD5A2 P31213 1/20 0.42
PTGS2 P35354 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9636818 0.94 TSHR (0.48) RXRARXRBRXRGCA12CA1
SCHEMBL9618138 0.79 MAPT (0.42) KMT2A
SCHEMBL2627825 0.79 RXRA (0.68) RXRARXRBRXRGGRIA4BCL2L1
SCHEMBL8833495 0.77 TSHR (0.50) RXRARXRBRXRGCA12CA1
SCHEMBL9330598 0.77 RXRA (0.56) RXRARXRBRXRGGRIA4BCL2L1
SCHEMBL9636806 0.77 RXRA (0.46) RXRARXRBRXRGBCL2L1BAD
SCHEMBL11877213 0.75 TSHR (0.52) CA12CA1CA2CA9CA14
SCHEMBL10900089 0.75 TSHR (0.52) CA12CA1CA2CA9CA14
Acrylic Acid SCHEMBL28859858 0.74 BCL2L1 (0.58) RXRARXRBRXRGBCL2L1BAD
SCHEMBL2009011 0.74 TP53 (0.46) RXRARXRBRXRGCA12CA1

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-0283326-B1 LIQUID CRYSTAL COMPOUNDS WITH 4-(OPTICALLY ACTIVE ALKYL)-3-CYANOPHENYL GROUPS Chisso Corporation (JP) 1992-06-24 EP disclosed
US-4913838-A LARGE SPONTANEOUS POLARIZATION VALUE CHISSO CORPORATION (JP) 1990-04-03 US disclosed