SCHEMBL9130443

SCHEMBL9130443

C=CCOC(=O)c1cc(OCC=C)c(OCC=C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SNCA P37840 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIG1 P18858 1/20 0.37
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 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
SCHEMBL9132292 0.84 TSHR (0.48) TSHRGAAALDH1A1HSD17B10KDM4E
SCHEMBL9131544 0.76 TSHR (0.54) CYP3A4TSHRGAAMEN1KMT2A
SCHEMBL2215894 0.76 POLB (0.60) GAAKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL17544250 0.76 CYP3A4 (0.45) CYP3A4TSHRGAAMEN1KMT2A
SCHEMBL13690626 0.73 KDM4E (0.57) CYP3A4TSHRGAAMEN1KMT2A
SCHEMBL8055864 0.73 MEN1 (0.54) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL9131061 0.72 TSHR (0.56) CYP3A4TSHRGAAALDH1A1HSD17B10
SCHEMBL2359576 0.72 CYP3A4 (0.47) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL25233675 0.71 CYP3A4 (0.46) CYP3A4TSHRGAAMEN1KMT2A
SCHEMBL1944089 0.71 TSHR (0.50) CYP3A4TSHRGAAMEN1KMT2A

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-5447925-A Carbapenems with side-chain S; use to treat infections IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-09-05 US disclosed
EP-0580632-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LIMITED (GB) 1994-02-02 EP disclosed