SCHEMBL8407103

SCHEMBL8407103

CC(C)C(=O)Nc1ccc(C(F)(F)F)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.47
MDM4 O15151 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
SLC40A1 Q9NP59 1/20 0.45
CHRNA7 P36544 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.42
MLYCD O95822 1/20 0.42
KIF11 P52732 1/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
CES2 O00748 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL24119880 0.86 ALDH1A1 (0.54) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL17026913 0.85 KMT2A (0.50) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL11874548 0.83 ALDH1A1 (0.52) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL30137398 0.82 ALDH1A1 (0.49) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL17026822 0.82 KMT2A (0.47) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL17026783 0.81 KMT2A (0.49) GAAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12518235 0.81 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1LMNAMDM4
SCHEMBL30137476 0.80 SLC40A1 (0.49) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL18581097 0.79 KMT2A (0.47) GAAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL30137312 0.79 ALDH1A1 (0.48) GAAKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118475567-A Heterocyclic derivative, composition and pharmaceutical application thereof 西藏海思科制药有限公司 2024-08-09 CN disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
EP-0514056-A2 Use of estrogens or antiandrogens for reversal of male sexual phenotype in poultry MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed