SCHEMBL8756509

SCHEMBL8756509

NCCCCCCCCCCCC=Cc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.44
TNNC1 P63316 1/20 0.41
MAOB P27338 3/20 0.40
AKR1B1 P15121 2/20 0.40
PTGS2 P35354 2/20 0.40
AKR1B10 O60218 1/20 0.40
GLO1 Q04760 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
CYP2C9 P11712 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 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
SCHEMBL8756586 1.00 APP (0.44) APPTNNC1MAOBAKR1B1PTGS2
SCHEMBL31289417 0.86 APP (0.54) APPMAOBAKR1B1PTGS2AKR1B10
SCHEMBL11587602 0.82 TNNC1 (0.38) TNNC1HDAC1HDAC8
SCHEMBL8405260 0.81 ALDH1A1 (0.41) TNNC1ALDH1A1HDAC6HDAC1HDAC8
SCHEMBL1277033 0.81 TNNC1 (0.55) TNNC1PTGS2KDM4EALDH1A1MAPT
SCHEMBL8471070 0.81 TNNC1 (0.55) TNNC1PTGS2KDM4EALDH1A1MAPT
SCHEMBL1001650 0.81 TNNC1 (0.55) TNNC1PTGS2KDM4EALDH1A1MAPT
SCHEMBL7180167 0.81 TNNC1 (0.55) TNNC1PTGS2KDM4EALDH1A1MAPT
SCHEMBL1072897 0.81 TNNC1 (0.55) TNNC1PTGS2KDM4EALDH1A1MAPT
SCHEMBL27553482 0.81 TNNC1 (0.55) TNNC1PTGS2KDM4EALDH1A1MAPT

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-0574879-B1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1997-05-02 EP disclosed
US-5395815-A Phenolic compound electron acceptor; images; contrast; stability MITSUBISHI PAPER MILLS LIMITED (JP) 1995-03-07 US disclosed
EP-0574879-A1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1993-12-22 EP disclosed