SCHEMBL11219968

SCHEMBL11219968

O=C(Nc1ccccc1)C1=CCC(C(=O)O)(C(=O)O)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
PTPN1 P18031 2/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SIRT1 Q96EB6 2/20 0.40
TP53 P04637 2/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
POLB P06746 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL10339864 0.83 RAB9A (0.41) RAB9APTPN1ALDH1A1SIRT1TP53
SCHEMBL1413121 0.82 PTPN1 (0.44) RAB9APTPN1ALDH1A1SIRT1TP53
SCHEMBL27495602 0.81 POLB (0.41) RAB9APTPN1ALDH1A1SIRT1TP53
SCHEMBL9423170 0.78 TSHR (0.38) RAB9AKCNK3MEN1HPGDKMT2A
SCHEMBL9271646 0.78 ALOX5 (0.44) RAB9APTPN1KCNK3KCNK9ALDH1A1
SCHEMBL1303037 0.76 ALDH1A1 (0.42) RAB9AALDH1A1TP53MEN1HPGD
SCHEMBL9262918 0.76 ALOX5 (0.42) RAB9APTPN1ALDH1A1SIRT1TP53
SCHEMBL8985178 0.76 HDAC2 (0.38) RAB9APTPN1ALDH1A1SIRT1TP53
SCHEMBL9267213 0.75 ALOX5 (0.41) RAB9APTPN1ALDH1A1SIRT1TP53
SCHEMBL6659700 0.75 CASP3 (0.37) RAB9AALDH1A1TP53MEN1HPGD

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
JP-57038820-A None JP disclosed
JP-S5738820-A PRODUCTION OF AMIDO-CONTAINING COPOLYESTER TORAY IND INC 1982-03-03 JP disclosed