SCHEMBL7738890

SCHEMBL7738890

CC1=C(C)C(c2ccccc2)OC1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
CA2 P00918 1/20 0.46
KMT2A Q03164 6/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 3/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL7564290 0.80 ALDH1A1 (0.52) ALDH1A1CA2KMT2ASMN1; SMN2RAB9A
SCHEMBL7564280 0.80 ALDH1A1 (0.48) ALDH1A1CA2KMT2ASMN1; SMN2RAB9A
SCHEMBL27778154 0.80 ALDH1A1 (0.52) ALDH1A1CA2KMT2ASMN1; SMN2RAB9A
SCHEMBL27729379 0.80 ALDH1A1 (0.47) ALDH1A1CA2KMT2ASMN1; SMN2RAB9A
SCHEMBL11954846 0.80 ALDH1A1 (0.52) ALDH1A1CA2KMT2ASMN1; SMN2RAB9A
SCHEMBL24624826 0.80 ALDH1A1 (0.47) ALDH1A1CA2KMT2ASMN1; SMN2RAB9A
SCHEMBL11954840 0.80 ALDH1A1 (0.52) ALDH1A1CA2KMT2ASMN1; SMN2RAB9A
SCHEMBL11894735 0.79 ALDH1A1 (0.46) ALDH1A1CA2KMT2ASMN1; SMN2RAB9A
SCHEMBL11895442 0.79 ALDH1A1 (0.46) ALDH1A1CA2KMT2ASMN1; SMN2RAB9A
SCHEMBL11954841 0.74 ALDH1A1 (0.43) ALDH1A1CA2KMT2ASMN1; SMN2RAB9A

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-9006491-B2 Structure and method for synthesizing and using dialkyl(2,4,6- or 2,6-alkoxyphenyl)phosphine and its tetrafluoroborate ZHEJIANG UNIVERSITY (CN) 2015-04-14 US disclosed
US-6417377-B1 Process for preparing enantiomer-enriched amino- and hydroxyfuranones DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-07-09 US disclosed