SCHEMBL11169652

SCHEMBL11169652

O=C(O)c1ccc2c(c1)C1CCC2c2ccc(C(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMO O15229 1/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA6 P23280 2/20 0.43
CA9 Q16790 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CA4 P22748 1/20 0.43
PTGS2 P35354 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL10170781 1.00 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3KMOTSHR
SCHEMBL10170783 0.83 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3KMOKDM4E
SCHEMBL10170777 0.82 CHRNA1 (0.53) SLC6A4SLC6A2SLC6A3KDM4EGAA
SCHEMBL11115696 0.82 CHRNA1 (0.53) SLC6A4SLC6A2SLC6A3KDM4EGAA
SCHEMBL10148390 0.79 RARG (0.56) SLC6A4SLC6A2SLC6A3KMOTSHR
SCHEMBL10170791 0.77 ALDH1A1 (0.49) SLC6A4SLC6A2SLC6A3TP53KDM4E
SCHEMBL10215462 0.77 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3TP53KDM4E
SCHEMBL10170793 0.77 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3
SCHEMBL11152269 0.77 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3TP53KDM4E
SCHEMBL11119289 0.77 CHRNA1 (0.49) KDM4EPOLBMAPTALDH1A1CREBBP

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-4371690-A POLYESTERS, POLYAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-02-01 US disclosed
US-4281106-A Heat-resistant, rigid polymers from difunctional 9,10-dihydro-9,10-ethanoanthracenes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-07-28 US disclosed