SCHEMBL9769784

SCHEMBL9769784

CC(C)(C)c1ccc(O)c(C(=O)O)c1.c1cc2cc-2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 6/20 0.63
MCL1 Q07820 4/20 0.57
DHFR P00374 1/20 0.57
HNF4A P41235 1/20 0.57
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
PTPN5 P54829 1/20 0.50
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
DHODH Q02127 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
CSNK2A1 P68400 1/20 0.47

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
SCHEMBL134234 0.90 HSP90AA1 (0.60) MCL1HSP90AA1HSP90AB1PTPN5HSD17B10
SCHEMBL8373996 0.89 ACMSD (0.66) ACMSDMCL1DHFRHNF4ARXRA
SCHEMBL432204 0.88 HSP90AA1 (0.58) MCL1HSP90AA1HSP90AB1PTPN5HSD17B10
Hydrochloric Acid SCHEMBL10933935 0.88 HSP90AA1 (0.58) MCL1HSP90AA1HSP90AB1PTPN5HSD17B10
SCHEMBL7087682 0.88 HSP90AA1 (0.58) MCL1HSP90AA1HSP90AB1PTPN5HSD17B10
SCHEMBL427276 0.88 HSP90AA1 (0.58) MCL1HSP90AA1HSP90AB1PTPN5HSD17B10
SCHEMBL313199 0.83 ACMSD (0.62) ACMSDMCL1DHFRHNF4ARXRA
SCHEMBL7090681 0.82 ACMSD (0.60) ACMSDMCL1DHFRHNF4ARXRA
SCHEMBL11776527 0.82 ACMSD (0.60) ACMSDMCL1DHFRHNF4ARXRA
SCHEMBL9769847 0.81 ACMSD (0.63) ACMSDMCL1DHFRHNF4ARXRA

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
US-4999333-A For facsimile and thermal printing FUJI PHOTO FILM CO., LTD. (JP) 1991-03-12 US disclosed