SCHEMBL8079259

SCHEMBL8079259

CCOc1ccccc1NC(=O)NCC(C)[C@H]1CC[C@H]2[C@@H]3CCN4C(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.40
GAA P10253 3/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8074330 0.82 SRD5A1 (0.53)
SCHEMBL8074335 0.82 SRD5A1 (0.53)
SCHEMBL8077698 0.79 AR (0.54)
SCHEMBL8077696 0.79 AR (0.54)
SCHEMBL8063840 0.74 GPBAR1 (0.37) NR1H4
SCHEMBL8726712 0.73 ALDH1A1 (0.39) NR1H4POLBKMT2A
SCHEMBL9113667 0.73 SRD5A1 (0.42) KDM4EL3MBTL1
SCHEMBL8724834 0.72 SRD5A2 (0.41) LMNA
SCHEMBL9113840 0.71 GPBAR1 (0.36)
SCHEMBL9113437 0.70 SRD5A2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641208-B1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2000-08-02 EP disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
US-5620986-A TREATS BENIGN PROSTATIC HYPERTROPHY, SEBORRHEA, FEMALE HIRSUTISM, AND MALE AND FEMALE PATTEN BALDNESS MERCK & CO., INC. (US) 1997-04-15 US disclosed
EP-0641208-A4 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-30 EP disclosed
EP-0641208-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 EP disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023048-A1 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed