SCHEMBL8671552

SCHEMBL8671552

CCCCC(Oc1ccc(N2C(=O)CN(C3CCNCC3)CC2=O)cc1)C(=O)OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.34
ALDH1A1 P00352 9/20 0.34
HSP90AA1 P07900 2/20 0.34
THRB P10828 1/20 0.33
POLB P06746 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
ALDH2 P05091 1/20 0.31
PTGER4 P35408 1/20 0.30
PTGER2 P43116 1/20 0.30

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
Hydrochloric Acid SCHEMBL8669965 0.99 SMN1; SMN2 (0.35) KMT2ASMN1; SMN2GLAALDH1A1HSP90AA1
Hydrochloric Acid SCHEMBL8669172 0.88 HRH3 (0.35) SMN1; SMN2POLBCYP2D6
SCHEMBL8672042 0.85 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1POLBCYP1A2CYP2D6
SCHEMBL8672255 0.81 TP53 (0.36) SMN1; SMN2CYP1A2CYP2D6CYP2C9TSHR
Hydrochloric Acid SCHEMBL8672245 0.80 TP53 (0.35) SMN1; SMN2
SCHEMBL8668496 0.79 CYP2D6 (0.38) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL8668017 0.71 SLC6A2 (0.33) CYP2D6
Hydrochloric Acid SCHEMBL8670960 0.71 SLC6A2 (0.33) CYP2D6
Hydrochloric Acid SCHEMBL8482562 0.69 KMT2A (0.41) KMT2AALDH1A1CYP2C9CYP2C19HSD17B10
SCHEMBL8666752 0.69 TP53 (0.45) KMT2ASMN1; SMN2ALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814636-A TREATMENT AND PROPHYLAXIS OF THROMBOTIC DISEASES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-09-29 US disclosed