SCHEMBL14574026

SCHEMBL14574026

CC(C)C1(C)OC(=O)C(=C/C=C/C=C/Nc2ccccc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.48
▸ KMT2A Q03164 1/20 0.38
▸ APP P05067 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31

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
SCHEMBL14574021 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AAPPSMN1; SMN2LMNA
SCHEMBL14574020 0.88 ALDH1A1 (0.62) ALDH1A1KMT2AAPPSMN1; SMN2LMNA
SCHEMBL12260834 0.82 ALDH1A1 (0.66) ALDH1A1KMT2AAPPSMN1; SMN2LMNA
SCHEMBL14574025 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AAPPSMN1; SMN2LMNA
SCHEMBL14196985 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AAPPSMN1; SMN2LMNA
SCHEMBL14574029 0.72 ALDH1A1 (0.39) ALDH1A1KMT2AAPPLMNAGAA
SCHEMBL14574031 0.72 ALDH1A1 (0.38) ALDH1A1KMT2AAPPSMN1; SMN2GAA
SCHEMBL14574022 0.72 ALDH1A1 (0.38) ALDH1A1KMT2AAPPGAARAB9A
SCHEMBL13317593 0.72 METAP1 (0.55) ALDH1A1KMT2AAPPSMN1; SMN2LMNA
SCHEMBL14574032 0.70 ALDH1A1 (0.37) ALDH1A1KMT2ASMN1; SMN2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183422-B2 Oxonol compound and process for producing the compound FUJI PHOTO FILM CO., LTD. (JP) 2007-02-27 — — US disclosed
US-7183422-B2 Oxonol compound and process for producing the compound FUJI PHOTO FILM CO., LTD. (JP) 2007-02-27 — — US disclosed
Send feedback