SCHEMBL5685986

SCHEMBL5685986

CCOC(=O)C(Sc1ccc(O)cc1)Sc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.50
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA7 P43166 6/20 0.50
CA9 Q16790 6/20 0.50
CA14 Q9ULX7 6/20 0.50
ESR1 P03372 3/20 0.50
ESR2 Q92731 1/20 0.50
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MIF P14174 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 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
SCHEMBL10441085 0.86 ESR1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL6663908 0.84 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL3035291 0.84 PIN1 (0.50) KMT2AKDM4EMAPTTSHRALDH1A1
SCHEMBL11748824 0.83 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL3931551 0.83 HTT (0.49) CA12CA1CA2CA7CA9
SCHEMBL14263897 0.81 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL6656240 0.76 ALOX5 (0.49) CA12CA1CA2CA7CA9
Hydroquinone SCHEMBL27707760 0.75 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3456721 0.75 KMT2A (0.42) KMT2AKDM4ELMNAMAPTALDH1A1
SCHEMBL1395571 0.72 CA12 (0.55) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439148-B2 Heat-sensitive recording material OJI PAPER CO (JP) 2006-05-03 EP claimed
EP-0439148-B1 Heat-sensitive recording material NEW OJI PAPER CO LTD (JP) 1994-12-28 EP claimed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed