SCHEMBL21993322

SCHEMBL21993322

Cc1cc(OC(=O)c2ccc(OC(=O)c3ccc(C=O)cc3)cc2)ccc1OC(=O)c1ccc(OC(=O)c2ccc(OCCCOc3ccc(O)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
MAPT P10636 6/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
ABCG2 Q9UNQ0 2/20 0.44
KMT2A Q03164 5/20 0.42
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 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
SCHEMBL21993325 1.00 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL21993579 0.89 MAPT (0.45) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL22435487 0.87 LMNA (0.48) MAPTLMNASMN1; SMN2KMT2APRSS1
SCHEMBL21993315 0.87 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL21993313 0.85 MAPT (0.41) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL26416354 0.84 MAPT (0.44) MAPTSMN1; SMN2KMT2APRSS1ACR
SCHEMBL19160219 0.83 TSHR (0.41) MAPTLMNASMN1; SMN2HPGDABCG2
SCHEMBL31086840 0.82 KDM4E (0.48) MAPTLMNAKMT2ANPC1MEN1
SCHEMBL496061 0.82 KDM4E (0.48) MAPTLMNAKMT2ANPC1MEN1
SCHEMBL16775049 0.81 MAPT (0.49) MAPTLMNASMN1; SMN2KMT2APRSS1

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