SCHEMBL7847415

SCHEMBL7847415

CC(COCc1ccccc1)c1c(I)[nH]c2ncc(C(C)(C)C(=O)O)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.38
SGK1 O00141 2/20 0.37
CTSS P25774 1/20 0.37
PPARG P37231 1/20 0.35
GABRA1 P14867 4/20 0.34
GABRG2 P18507 4/20 0.34
GABRB3 P28472 4/20 0.34
GABRA5 P31644 4/20 0.34
GABRA3 P34903 4/20 0.34
GABRA2 P47869 4/20 0.34
S1PR1 P21453 3/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34

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
SCHEMBL7847407 1.00 PPARA (0.38) PPARASGK1CTSSPPARGGABRA1
SCHEMBL7653947 0.87 PPARA (0.37) PPARASGK1CTSSPPARGGABRA1
SCHEMBL7981190 0.87 PPARA (0.37) PPARASGK1CTSSPPARGGABRA1
SCHEMBL7858393 0.75 GNRHR (0.49)
SCHEMBL8012586 0.75 GNRHR (0.49)
SCHEMBL7977562 0.74 GNRHR (0.51)
SCHEMBL7977559 0.74 GNRHR (0.51)
SCHEMBL8479692 0.71 GNRHR (0.57)
SCHEMBL8479688 0.71 GNRHR (0.57)
SCHEMBL7646272 0.69 GNRHR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228867-B1 2-PHENYL-PYRROLO(2,3-B)PYRIDINE DERIVATIVES FOR TREATING UROGENITAL AND SLEEP DISORDERS; ANTICARCINOGENIC AGENTS; BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-05-08 US disclosed
EP-1070064-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2001-01-24 EP disclosed
US-6110931-A FOR PREGNANCY PROPHYLAXIS AND TREATMENT OF GLANDULAR DISORDERS, HORMONE DEFICIENCY DISORDERS, GASTROINTESTINAL DISORDERS, GROWTH DISORDERS MERCK & CO., INC. (US) 2000-08-29 US disclosed
US-6077847-A ADMINISTERING A SUBSTITUTED INDOLE COMPOUND TO THE PATIENTS FOR THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN MERCK & CO., INC. (US) 2000-06-20 US disclosed
US-6025366-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-02-15 US disclosed
US-5998432-A SEXUAL DISORDERS MERCK & CO., INC. (US) 1999-12-07 US disclosed
US-5985892-A USEFUL FOR THE TREATMENT OF A VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN; PREVENTING PREGNANCY; TREATING LUPUS ERYTHEMATOSIS, IRRITABLE BOWEL SYNDROME, PREMENSTRUAL SYNDROME, HIRSUTISM, SHORT STATURE OR A MERCK & CO., LTD. (US) 1999-11-16 US disclosed
WO-1999051596-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed