SCHEMBL2137771

SCHEMBL2137771

O=C(OC1CCCNC1)C1C2C=CC(C2)C1C(=O)OC1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.38
SLC6A1 P30531 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
SLC6A11 P48066 1/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 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
SCHEMBL3286002 0.81 FABP7 (0.45) LMNASMN1; SMN2TSHRALDH1A1POLB
SCHEMBL3288497 0.81 FABP7 (0.41) LMNASMN1; SMN2TSHRALDH1A1POLB
SCHEMBL2140237 0.80 ALDH1A1 (0.37) ADRA2ALMNASMN1; SMN2TSHRALDH1A1
SCHEMBL3288527 0.80 FABP7 (0.47) LMNASMN1; SMN2TSHRALDH1A1POLB
SCHEMBL1614779 0.80 FABP7 (0.47) LMNASMN1; SMN2TSHRALDH1A1POLB
SCHEMBL2137300 0.80 LMNA (0.40) ADRA2ASLC6A1LMNASMN1; SMN2TSHR
SCHEMBL5837271 0.76 FABP7 (0.51) LMNASMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL5837269 0.76 FABP7 (0.51) LMNASMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL15611584 0.74 FABP7 (0.54) LMNASMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL5074398 0.73 LMNA (0.33) SLC6A1LMNASMN1; SMN2TSHRSLC6A11

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-8148484-B2 Poly(bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 2-(tert-butylamino)ethyl ester); Poly(bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 2-(dimethylamino)ethyl ester); used for disinfecting, sterilizing, and preventing biofouling in closed or open industrial-water systems and cooling-water systems KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2012-04-03 US disclosed
US-20080251460-A1 Biocidal Polymers KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2008-10-16 US disclosed