SCHEMBL8561812

SCHEMBL8561812

CC(C)(NC(=O)c1ccccc1)C(C)(Oc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
CYP2C9 P11712 1/20 0.43
EPHX1 P07099 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
PGR P06401 1/20 0.41
NLRP3 Q96P20 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL28463323 0.76 POLB (0.59) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL28332799 0.76 PPARG (0.46) POLBCYP2C9MEN1ALDH1A1KMT2A
SCHEMBL9614618 0.75 RAB9A (0.45) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL1096852 0.75 POLB (0.47) POLBSMN1; SMN2NPC1RAB9APRSS1
SCHEMBL26059882 0.73 PDK1 (0.43) POLBCYP2C9MEN1ALDH1A1KMT2A
SCHEMBL343830 0.72 POLB (0.65) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL408310 0.72 CYP2C9 (0.67) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL10504078 0.71 POLB (0.58) POLBSMN1; SMN2CYP2C9EPHX1NPC1
SCHEMBL28250845 0.71 TRPV1 (0.52) POLBNPC1RAB9AMAPTTDP1
SCHEMBL10788978 0.70 POLB (0.53) POLBSMN1; SMN2CYP2C9EPHX1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
WO-1994015602-A1 COMBINATION METHOD FOR TREATING PATTERNED ALOPECIA WITH 17β-N-SUBSTITUTED-CARBAMOYL-4-AZA-5α-ANDROST-1-EN-3-ONES AND MINOXIDIL MERCK & CO., INC. (US) 1994-07-21 WO disclosed
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed