SCHEMBL5997602

SCHEMBL5997602

O=C(O)CCc1cccc2c1Oc1ccccc1C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
KEAP1 Q14145 1/20 0.40
FFAR1 O14842 3/20 0.38
PARP1 P09874 1/20 0.38
CD69 Q07108 1/20 0.37
MTNR1A P48039 3/20 0.36
ACSL1 P33121 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL27883628 0.87 MAOA (0.47) MAOAMAOBCD69ACSL1
SCHEMBL4021521 0.86 KMT2A (0.39) MAOAMAOBPTGER1PTGER4PTGER3
SCHEMBL8946082 0.82 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL4015217 0.79 AKR1B1 (0.37) MAOAMAOBFFAR1
SCHEMBL27323570 0.78 MAOA (0.38) MAOAMAOBMTNR1AACSL1
SCHEMBL22484541 0.78 MAOA (0.47) MAOAMAOBMTNR1A
SCHEMBL166877 0.75 KDM4C (0.51) PTGER1PTGER4PTGER3PTGER2KEAP1
SCHEMBL7325719 0.75 MAOA (0.52) MAOAMAOBACSL1
SCHEMBL3430852 0.74 MTNR1A (0.62) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL8961832 0.73 MAOA (0.48) MAOAMAOBPTGER4PARP1CD69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141599-B2 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor, a leukotriene B4 receptor inhibitor and a cyclosporin PHARMACIA CORPORATION (US) 2006-11-28 US claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
US-20120208709-A1 GENETIC SUSCEPTIBILITY VARIANTS ASSOCIATED WITH CARDIOVASCULAR DISEASE DECODE GENETICS EHF. (IS) 2012-08-16 US disclosed