SCHEMBL2372673

SCHEMBL2372673

CCOC(=O)C1CCC(N2CCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 10/20 0.56
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.49
CHRM1 P11229 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL8301383 1.00 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL3882849 0.98 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL9093407 0.92 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL11490414 0.87 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL372350 0.87 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL28443081 0.85 MAPT (0.50) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL28450924 0.85 MAPT (0.50) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL28443083 0.85 MAPT (0.50) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL20066231 0.85 CHRM1 (0.53) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL3273470 0.85 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTPOLB

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
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed