SCHEMBL10422136

SCHEMBL10422136

COc1cc(C)c(OCOc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 2/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TSHR P16473 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 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
SCHEMBL10421203 0.86 KDM4E (0.51) CDC25BNPC1RAB9APOLBAPEX1
SCHEMBL10421123 0.82 ALDH1A1 (0.42) NPC1RAB9APOLBTDP1L3MBTL1
SCHEMBL10422166 0.80 KDM4E (0.45) NPC1RAB9APOLBTDP1ALDH1A1
SCHEMBL14735306 0.80 KDM4E (0.55) CDC25BNPC1RAB9APOLBAPEX1
SCHEMBL10422133 0.80 LMNA (0.52) NPC1RAB9APOLBAPEX1TDP1
SCHEMBL4134482 0.75 CASP3 (0.45) L3MBTL1ALDH1A1KDM4EHPGDCYP1A2
SCHEMBL8996395 0.74 CDC25B (0.62) CDC25BPOLBAPEX1ALDH1A1KDM4E
SCHEMBL2565863 0.74 CDC25B (0.43) CDC25BNPC1RAB9APOLBAPEX1
SCHEMBL10697777 0.74 KDM4E (0.48) NPC1RAB9APOLBL3MBTL1ALDH1A1
SCHEMBL10421201 0.72 ALDH1A1 (0.54) CDC25BNPC1RAB9APOLBTDP1

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-4918047-A CONTAINING OXYSALICYLIC ACID DERIVATIVE AND ZINC COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1990-04-17 US disclosed
EP-0253666-A2 Heat-sensitive recording material containing dye-forming components FUJI PHOTO FILM CO., LTD. (JP) 1988-01-20 EP disclosed