SCHEMBL8672157

SCHEMBL8672157

C=CC[C@H](OCc1ccccc1)[C@H](O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.39
BCHE P06276 1/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 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
SCHEMBL8672156 1.00 RCE1 (0.39) RCE1BCHESLC1A3SLC1A2SLC1A1
SCHEMBL9577156 0.85 RCE1 (0.41) RCE1BCHESLC1A3SLC1A2SLC1A1
SCHEMBL9497428 0.85 RCE1 (0.41) RCE1BCHESLC1A3SLC1A2SLC1A1
SCHEMBL31556087 0.85 CA1 (0.46) RCE1SLC1A1KMT2ATDP1CA1
SCHEMBL19514786 0.83 SLC1A3 (0.42) RCE1SLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL614140 0.83 SLC1A3 (0.42) RCE1SLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL23850034 0.83 SLC1A1 (0.42) RCE1BCHESLC1A3SLC1A2SLC1A1
SCHEMBL28639070 0.83 SLC1A1 (0.42) RCE1BCHESLC1A3SLC1A2SLC1A1
SCHEMBL19758116 0.83 RCE1 (0.46) RCE1SLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL29028880 0.83 RCE1 (0.46) RCE1SLC1A3SLC1A2SLC1A1CYP2C19

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-5750735-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-05-12 US disclosed
US-5623081-A USING BENZYLOXYACETALDEHYDE DIMETHYL ETHER, HALOGENATED 1-PHENYLMETHOXY-4-PENTEN-2-OL; CYCLIZATION LIN YANG-I (US) 1997-04-22 US disclosed
US-5602118-A A 2-((2-SUBSTITUTED ALKYL)FUR-3-YL)-THIO-),3-CARBOXY-2-CARBOPENEM DERIVATIVES; EFFECTIVE AGAINST BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA AMERICAN CYANAMID COMPANY (US) 1997-02-11 US disclosed
EP-0617036-A2 Novel 2-thiosubstituted carbapenems AMERICAN CYANAMID COMPANY (US) 1994-09-28 EP disclosed