SCHEMBL4408464

SCHEMBL4408464

CC1CCC(C(C)C)C(OC(=O)c2ccccc2OC2CC(C)CCC2C(C)C)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
HPGD P15428 3/20 0.72
ACLY P53396 1/20 0.52
NPSR1 Q6W5P4 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP19A1 P11511 2/20 0.49
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 3/20 0.47
MAPK1 P28482 3/20 0.47
GAA P10253 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
P2RX4 Q99571 1/20 0.46
EPHX1 P07099 2/20 0.45
SCN9A Q15858 1/20 0.45
MEN1 O00255 2/20 0.44
MITF O75030 2/20 0.44
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL2907147 1.00 ALDH1A1 (0.72) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL29906119 0.90 ALDH1A1 (0.72) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL21547326 0.90 ALDH1A1 (0.72) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL28473708 0.90 ALDH1A1 (0.83) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL30146601 0.89 ALDH1A1 (0.62) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL15570727 0.88 ALDH1A1 (0.69) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL2450851 0.88 ALDH1A1 (0.58) ALDH1A1HPGDACLYNPSR1KDM4E
Meradimate SCHEMBL8329573 0.85 ALDH1A1 (0.98) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL21530854 0.85 ALDH1A1 (0.65) ALDH1A1HPGDACLYNPSR1KDM4E
SCHEMBL21530852 0.85 ALDH1A1 (0.65) ALDH1A1HPGDACLYNPSR1KDM4E

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-8465763-B2 3-hydroxychlormadinone acetate for the topical treatment of androgen-dependent skin diseases RICHTER GEDEON NYRT. (HU) 2013-06-18 US disclosed
US-20090318395-A1 3-HYDROXYCHLORMADINONE ACETATE FOR THE TOPICAL TREATMENT OF ANDROGEN-DEPENDENT SKIN DISEASES GRUNENTHAL GMBH (DE) 2009-12-24 US disclosed