SCHEMBL11276088

SCHEMBL11276088

COC(=O)CCCCCC(C)n1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
TBXAS1 P24557 4/20 0.41
TBXA2R P21731 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL11276090 1.00 KMT2A (0.49) KMT2AKDM4EL3MBTL1TBXAS1TBXA2R
SCHEMBL11283342 0.84 TBXAS1 (0.54) KMT2AKDM4ETBXAS1TBXA2RTDP1
SCHEMBL11283338 0.84 TBXAS1 (0.54) KMT2AKDM4ETBXAS1TBXA2RTDP1
Hydrochloric Acid SCHEMBL11266012 0.83 TBXAS1 (0.55) KDM4ETBXAS1TBXA2RTDP1
Hydrochloric Acid SCHEMBL11266009 0.83 TBXAS1 (0.55) KDM4ETBXAS1TBXA2RTDP1
SCHEMBL15153541 0.83 PPARG (0.43) L3MBTL1TBXAS1TBXA2R
SCHEMBL15153414 0.83 PPARG (0.43) L3MBTL1TBXAS1TBXA2R
SCHEMBL15153359 0.83 PPARG (0.43) L3MBTL1TBXAS1TBXA2R
SCHEMBL27968391 0.79 KMT2A (0.59) KMT2AKDM4EL3MBTL1ALDH1A1MAPT
Bicarbonate SCHEMBL28519256 0.78 KDM4E (0.49) KMT2AKDM4ETBXAS1TBXA2R

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-4355170-A ANTIINFLAMMATORY, HYPERTENSIVE, ANTIASTHMATIC AGENTS, A THROMBOXANE SYNTHETASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-10-19 US disclosed
US-4256757-A ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; THROMBOSIS; ASTHMA; NERVOUS SYSTEM DISORDERS ONO PHARMACEUTICAL CO., LTD. 1981-03-17 US disclosed