SCHEMBL5773706

SCHEMBL5773706

O=C(O)CCC(=O)C1CCCCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.38
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CA6 P23280 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
TLR4 O00206 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10339687 1.00 MCL1 (0.49) MCL1ALDH1A1MAPK1KDM4ELMNA
SCHEMBL2718691 0.98 MCL1 (0.50) MCL1ALDH1A1MAPK1KDM4ELMNA
SCHEMBL5770917 0.93 MCL1 (0.43) MCL1ALDH1A1MAPK1KDM4ELMNA
SCHEMBL16291203 0.81 MCL1 (0.47) MCL1ALDH1A1MAPK1KDM4EKMT2A
SCHEMBL535049 0.80 MCL1 (0.46) MCL1ALDH1A1MAPK1KMT2ACA1
SCHEMBL535448 0.77 LMNA (0.45) MCL1ALDH1A1MAPK1LMNAKMT2A
SCHEMBL8984610 0.77 MCL1 (0.44) MCL1ALDH1A1MAPK1KDM4EKMT2A
SCHEMBL7353241 0.77 MCL1 (0.58) MCL1MAPK1KDM4EKMT2ACA1
SCHEMBL8081259 0.77 MCL1 (0.58) MCL1MAPK1KDM4EKMT2ACA1
Succinic Acid SCHEMBL3186231 0.76 ALDH1A1 (0.42) MCL1ALDH1A1KDM4ELMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885883-B1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF MITSUBISHI PHARMA CORP (JP) 2006-11-02 EP disclosed
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed