SCHEMBL9003383

SCHEMBL9003383

O=C(O)c1cccc(Cc2ccc(OCCOc3ccccc3)cc2)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
PTPN1 P18031 3/20 0.48
PTPN2 P17706 1/20 0.48
PTPN6 P29350 1/20 0.48
HMGB1 P09429 1/20 0.47
PARP10 Q53GL7 1/20 0.44
SRD5A2 P31213 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL9303238 0.86 TP53 (0.53) TSHR
SCHEMBL9304814 0.85 FFAR1 (0.52) ALDH1A1PKMHMGB1MEN1KMT2A
SCHEMBL112902 0.83 PTPN1 (0.65) ALDH1A1TSHRPTPN1PTPN2PTPN6
SCHEMBL30612910 0.83 PTPN1 (0.65) ALDH1A1TSHRPTPN1PTPN2PTPN6
Bicarbonate SCHEMBL236871 0.82 PTPN1 (0.63) ALDH1A1TSHRPTPN1PTPN2PTPN6
Bicarbonate SCHEMBL21899873 0.82 PTPN1 (0.63) ALDH1A1TSHRPTPN1PTPN2PTPN6
SCHEMBL14408663 0.81 HMGB1 (0.56) ALDH1A1TSHRPTPN1PTPN2PTPN6
SCHEMBL8358347 0.78 TP53 (0.50) TSHR
SCHEMBL9305532 0.78 ALDH1A1 (0.76) ALDH1A1PKMPARP10MEN1KMT2A
Salicylic Acid SCHEMBL29700476 0.78 KDM4E (0.58) ALDH1A1TSHRPTPN1PTPN2PTPN6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424914-B1 Recording material NEW OJI PAPER CO LTD (JP) 1996-09-25 EP disclosed
US-5276001-A Color developer comprising salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-01-04 US disclosed
US-5096872-A Colorless basic dye reacts with salicylic acid derivative to form colored image, paper KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-03-17 US disclosed
EP-0424914-A2 Recording material NEW OJI PAPER CO., LTD. (JP) 1991-05-02 EP disclosed