SCHEMBL21993579

SCHEMBL21993579

Cc1cc(OC(=O)c2ccc(OC(=O)c3ccc(C=O)cc3)cc2)ccc1OC(=O)c1ccc(OCCCCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 4/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL224296 0.90 NPC1 (0.48) MAPTLMNASMN1; SMN2NPC1CYP1A2
SCHEMBL1531820 0.90 NPC1 (0.48) MAPTLMNASMN1; SMN2NPC1CYP1A2
SCHEMBL13531263 0.90 NPC1 (0.48) MAPTLMNASMN1; SMN2NPC1CYP1A2
SCHEMBL3262827 0.90 NPC1 (0.48) MAPTLMNASMN1; SMN2NPC1CYP1A2
SCHEMBL21993322 0.89 ALDH1A1 (0.48) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL21993325 0.89 ALDH1A1 (0.48) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL21993315 0.87 ALDH1A1 (0.49) MAPTALDH1A1LMNAKMT2AKDM4E
SCHEMBL21993313 0.87 MAPT (0.41) MAPTALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL19027825 0.84 KDM4E (0.46) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL13572533 0.84 GAA (0.47) MAPTLMNASMN1; SMN2NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148538-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, AND DEVICE WITH THERMALLY CONDUCTIVE LAYER FUJIFILM CORPORATION (JP) 2020-05-14 US disclosed