SCHEMBL11233688

SCHEMBL11233688

O=C(O)c1cnc(C(=O)O)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
ALOX15 P16050 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43
HNF4A P41235 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
DDT P30046 1/20 0.40
PIN1 Q13526 1/20 0.40

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
SCHEMBL10421047 0.79 TDP1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL10421046 0.79 TDP1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2811220 0.76 ALDH1A1 (0.48) LDHAMEN1KMT2APTPN1ALDH1A1
SCHEMBL332581 0.75 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTALOX15L3MBTL1
SCHEMBL19952714 0.75 ALDH1A1 (0.65) LDHAMEN1KMT2AALDH1A1KDM4E
SCHEMBL27651389 0.75 LMNA (0.45) MEN1KMT2APTPN1ALDH1A1KDM4E
SCHEMBL9817177 0.74 ACMSD (0.50) LDHAPTPN1ALDH1A1KDM4EMAPT
SCHEMBL27573376 0.74 MAP4K4 (0.43) LDHAMEN1KMT2APTPN1KDM4E
SCHEMBL7279023 0.73 KDM4E (0.47) LDHAALDH1A1KDM4EMAPTALOX15
SCHEMBL29774207 0.73 MEN1 (0.60) LDHAMEN1KMT2AALDH1A1MAPT

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-4339349-A SULFUR-OXYGEN PHOSPHATES, FATTY QUATERNARIES POLYPHOSPHATES, CYCLIC AMIDINES, TRITHIONEIS PETROLITE CORPORATION (US) 1982-07-13 US disclosed
US-4168292-A IN OIL WELLS PETROLITE CORPORATION (US) 1979-09-18 US disclosed