SCHEMBL8773238

SCHEMBL8773238

O=C(O)CCn1c2c(c3ccccc31)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
ALDH1A1 P00352 2/20 1.00
KMT2A Q03164 3/20 0.74
MEN1 O00255 2/20 0.74
GLA P06280 1/20 0.74
CASP1 P29466 1/20 0.74
CASP7 P55210 1/20 0.74
HSD17B10 Q99714 1/20 0.74
PTGDR2 Q9Y5Y4 5/20 0.64
TDP1 Q9NUW8 2/20 0.64
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
FABP3 P05413 1/20 0.62
FABP4 P15090 1/20 0.62
FABP5 Q01469 1/20 0.62
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
GAA P10253 1/20 0.60

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
SCHEMBL4037511 0.85 KDM4E (1.00) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL15281766 0.83 KDM4E (0.71) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL6581512 0.82 KDM4E (0.70) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL27568575 0.81 PTGDR2 (0.69) KDM4EALDH1A1PTGDR2
SCHEMBL16559078 0.80 KDM4E (0.67) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL13273561 0.80 KDM4E (0.67) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL18456826 0.79 ALDH1A1 (0.65) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL18456829 0.79 ALDH1A1 (0.65) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL18457140 0.79 CA1 (0.67) KDM4EALDH1A1KMT2AMEN1GLA
SCHEMBL1056164 0.78 HDAC6 (1.00) KDM4EALDH1A1KMT2AMEN1GLA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115624549-A Compositions and methods for treating muscular dystrophy using thromboxane-A2 receptor antagonists 坎伯兰医药品股份有限公司 2023-01-20 CN disclosed
CN-109152767-B Compositions and methods for treating muscular dystrophy using thromboxane-A2 receptor antagonists 坎伯兰医药品股份有限公司 2022-10-21 CN disclosed
US-20220211674-A1 Thromboxane Receptor Antagonists in AERD/Asthma CUMBERLAND PHARMACEUTICALS INC. (US) 2022-07-07 US disclosed
CN-114569608-A Thromboxane receptor antagonists in AERD/asthma 坎伯兰医药品股份有限公司 2022-06-03 CN disclosed
WO-2022045074-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING OBESITY 国立大学法人東京大学 2022-03-03 WO disclosed
EP-2781508-B9 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2019-08-21 EP disclosed
EP-0791360-A2 Treatment of septic shock with anti-TNF antibodies Bayer Corporation (US) 1997-08-27 EP disclosed