SCHEMBL9767974

SCHEMBL9767974

CC(C)(C=O)Cc1ccc(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.42
PGR P06401 2/20 0.42
NR3C2 P08235 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
P2RX7 Q99572 7/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 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
SCHEMBL2600032 0.80 NR3C1 (0.42) NR3C1PGRNR3C2SMN1; SMN2ALDH1A1
SCHEMBL564833 0.80 NR3C1 (0.40) NR3C1PGRNR3C2SMN1; SMN2ALDH1A1
SCHEMBL564609 0.77 NPC1 (0.43) NR3C1PGRNR3C2SMN1; SMN2ALDH1A1
SCHEMBL564445 0.77 NR3C1 (0.46) NR3C1PGRNR3C2SMN1; SMN2ALDH1A1
SCHEMBL15667983 0.77 NR3C1 (0.36) NR3C1PGRNR3C2ALDH1A1CYP1A2
SCHEMBL25039130 0.76 P2RX7 (0.40) NR3C1PGRNR3C2SMN1; SMN2ALDH1A1
SCHEMBL257076 0.74 P2RX7 (0.48) SMN1; SMN2ALDH1A1LMNAP2RX7CYP1A2
SCHEMBL2559866 0.73 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HTTLMNAP2RX7
SCHEMBL30515582 0.73 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HTTLMNAP2RX7
SCHEMBL25039129 0.71 NR3C1 (0.42) NR3C1PGRNR3C2SMN1; SMN2LMNA

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-5013354-A Tetrahydrophthalimido group, herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-07 US disclosed
EP-0300398-A2 3-Phenylpropionic acid derivatives BASF Aktiengesellschaft (DE) 1989-01-25 EP disclosed