SCHEMBL8942583

SCHEMBL8942583

CCOC(=O)C1OC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
CACNA1F O60840 12/20 0.57
CACNA1D Q01668 12/20 0.57
CACNA1S Q13698 12/20 0.57
CACNA1C Q13936 12/20 0.57
ADORA3 P0DMS8 1/20 0.57
HIF1A Q16665 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
CYP2D6 P10635 1/20 0.53
NFKB1 P19838 1/20 0.53

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
SCHEMBL8746385 0.85 TSHR (0.67) TSHRCACNA1DADORA3MEN1KMT2A
SCHEMBL27083890 0.85 TSHR (0.67) TSHRCACNA1DADORA3MEN1KMT2A
SCHEMBL9692321 0.85 HIF1A (0.47) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL10843264 0.79 TP53 (0.50) TSHRMEN1KMT2AMAPTLMNA
SCHEMBL8942269 0.79 TSHR (0.48) TSHRCACNA1CMEN1KMT2AMAPT
SCHEMBL3209706 0.79 TSHR (0.68) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3209704 0.79 TSHR (0.68) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL28741885 0.79 SLC9A1 (0.58) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL28741883 0.79 SLC9A1 (0.58) TSHRCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL29867619 0.79 SLC9A1 (0.58) TSHRCACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569774-A Process for the preparation of chlorine-substituted olefins BASF AKTIENGESELLSCHAFT (DE) 1996-10-29 US disclosed
EP-0632799-B1 PROCESS FOR PRODUCING CHLORINE-SUBSTITUTED OLEFINE COMPOUNDS BASF AG (DE) 1996-10-09 EP disclosed
EP-0632799-A1 PROCESS FOR PRODUCING CHLORINE-SUBSTITUTED OLEFINE COMPOUNDS. BASF AG (DE) 1995-01-11 EP disclosed
WO-1993019034-A1 PROCESS FOR PRODUCING CHLORINE-SUBSTITUTED OLEFINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1993-09-30 WO disclosed