SCHEMBL29068228

SCHEMBL29068228

CC1=C(CC(=O)O)c2cc(C(C)C)ccc2C1=Cc1ccc(C(C)C)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.82
PPARG P37231 11/20 0.67
CYP1A2 P05177 3/20 0.58
MAPT P10636 3/20 0.58
MAPK1 P28482 3/20 0.58
PTGS2 P35354 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
EGFR P00533 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
DRD1 P21728 1/20 0.58
PTGS1 P23219 1/20 0.58
OPRM1 P35372 1/20 0.58
PSEN1 P49768 1/20 0.58
PSEN2 P49810 1/20 0.58
APH1B Q8WW43 1/20 0.58
NCSTN Q92542 1/20 0.58
APH1A Q96BI3 1/20 0.58
PSENEN Q9NZ42 1/20 0.58
CYSLTR1 Q9Y271 1/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.58

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
SCHEMBL29068226 1.00 RXRA (0.82) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL30389657 0.93 RXRA (0.79) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL12182063 0.93 RXRA (0.79) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL17119518 0.91 RXRA (0.77) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL25309368 0.90 RXRA (1.00) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL16342837 0.90 RXRA (1.00) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL2593408 0.90 RXRA (1.00) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL29534468 0.90 RXRA (1.00) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL12182062 0.90 RXRA (0.74) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL17119517 0.89 RXRA (0.74) RXRAPPARGCYP1A2MAPTMAPK1

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-116472034-A Indene compound, pharmaceutical composition thereof and therapeutic application thereof 藤济(厦门)生物医药科技有限公司 2023-07-21 CN claimed
CN-116472034-A Indene compound, pharmaceutical composition thereof and therapeutic application thereof 藤济(厦门)生物医药科技有限公司 2023-07-21 CN disclosed