SCHEMBL9475663

SCHEMBL9475663

CC1(C)N=C(c2cccc[n+]2[O-])c2cc(C(=O)O)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
TTR P02766 1/20 0.33
PTPRC P08575 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
RARG P13631 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 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
SCHEMBL9476598 0.91 S100A4 (0.34) KDM4EABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9476478 0.86 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9475563 0.81 CHRM1 (0.31) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL9475319 0.81 ABCC9 (0.31) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9475265 0.79 ABCC9 (0.50) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9475710 0.79 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9478300 0.79 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9476674 0.78 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9476029 0.78 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9475069 0.77 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8

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
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP disclosed