SCHEMBL28802253

SCHEMBL28802253

CC(C)(C)c1ccc(-c2cccc3c2CC=C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
TSHR P16473 1/20 0.35
PARP1 P09874 1/20 0.35
KIF11 P52732 3/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR1 P21453 1/20 0.33
DGAT1 O75907 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
RORB Q92753 1/20 0.32
HTR1D P28221 1/20 0.32
ADRA1A P35348 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
MEN1 O00255 1/20 0.31
NR2F2 P24468 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
SCHEMBL20204270 0.86 RXRA (0.36) PTAFRKIF11NPC1RAB9AALDH1A1
SCHEMBL693026 0.82 PRCP (0.34)
SCHEMBL6912627 0.79 PRCP (0.40) NISCHALDH1A1
SCHEMBL29612349 0.74 BRD4 (0.36) PTAFRBRD4CREBBPTSHRPARP1
SCHEMBL2706486 0.74 BRD4 (0.36) PTAFRBRD4CREBBPTSHRPARP1
SCHEMBL28316529 0.73 BRD4 (0.34) BRD4CREBBPMEN1KMT2A
SCHEMBL30065602 0.73 PTAFR (0.39) PTAFRBRD4CREBBPTSHRPARP1
SCHEMBL6649008 0.73 BRD4 (0.36) PTAFRBRD4CREBBPTSHRPARP1
SCHEMBL5553099 0.73 PTAFR (0.39) PTAFRBRD4CREBBPTSHRPARP1
SCHEMBL16406306 0.72 PTAFR (0.39) PTAFRBRD4CREBBPTSHRPARP1

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-103086834-B Preparation method of biaryl indene compounds SHANGHAI RES INST CHEMICAL IND 2015-05-27 CN disclosed
CN-103086834-A Preparation method of biaryl indene compounds SHANGHAI RES INST CHEMICAL IND 2013-05-08 CN disclosed