SCHEMBL6258367

SCHEMBL6258367

CC1=C(c2cc(C)no2)C(=O)CCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SLC6A3 Q01959 3/20 0.34
▸ CSF1R P07333 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL6265311 0.63 KDM4E (0.30) KDM4EUSP2ALDH1A1TSHR
SCHEMBL22679771 0.62 BRD4 (0.46) KDM4EALDH1A1HSD17B10HTTPOLB
SCHEMBL11619376 0.60 PTGS2 (0.49) KDM4EALDH1A1TSHRHSD17B10HTT
SCHEMBL11786351 0.60 CYP1A2 (0.51) KDM4EUSP2ALDH1A1TSHRCSF1R
SCHEMBL18255923 0.59 CHRNB2 (0.45) KDM4EALDH1A1TSHRSLC6A3MAPT
SCHEMBL13514282 0.58 CYP1A2 (0.54) KDM4EUSP2ALDH1A1TSHRMAPT
SCHEMBL1396725 0.58 — —
SCHEMBL10519198 0.57 NPC1 (0.56) KDM4EALDH1A1HSD17B10HTTPOLB
SCHEMBL4145079 0.57 CYP1A2 (0.45) KDM4EUSP2ALDH1A1TSHRMAPT
SCHEMBL2270503 0.57 NPC1 (0.59) ALDH1A1TSHRCSF1RPOLBMAPT

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
EP-1085016-B1 HETEROCYCLE-BEARING THIO PHENOL COMPOUNDS, INTERMEDIATES FOR THE PREPARATION OF THE SAME AND PROCESSES FOR THE PREPARATION OF BOTH NIPPON SODA CO (JP) 2005-11-02 — — EP disclosed
US-6359143-B1 CHEMICAL INTERMEDIATE; HERBICIDES NIPPON SODA CO., LTD. (JP) 2002-03-19 — — US disclosed
EP-1085016-A1 HETEROCYCLE-BEARING THIO PHENOL COMPOUNDS, INTERMEDIATES FOR THE PREPARATION OF THE SAME AND PROCESSES FOR THE PREPARATION OF BOTH NIPPON SODA CO., LTD. (JP) 2001-03-21 — — EP disclosed
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