SCHEMBL9635648

SCHEMBL9635648

CC(C(=O)O)C(C)C(=O)C(C)C(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
SLC7A5 Q01650 2/20 0.38
GABRR1 P24046 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 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
SCHEMBL17969881 0.91 TP53 (0.40) TP53SLC7A5
SCHEMBL83830 0.89 TP53 (0.57) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL715386 0.89 TP53 (0.57) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL812166 0.89 TP53 (0.57) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL812149 0.89 TP53 (0.57) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL13310465 0.89 TP53 (0.57) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL10137805 0.87 TP53 (0.42) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL11445671 0.85 TP53 (0.53) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL6735445 0.85 TP53 (0.53) TP53SLC7A5GABRR1RNPEPCYP1A2
SCHEMBL11445718 0.85 TP53 (0.53) TP53SLC7A5GABRR1RNPEPCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093465-A Polyamide containing spirodilactam moieties SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5093500-A Spirodilactam bisimides SHELL OIL COMPANY (US) 1992-03-03 US disclosed
US-5028688-A Polyamideimide polymers SHELL OIL COMPANY (US) 1991-07-02 US disclosed
US-4927906-A Novel polyamideimide polymers SHELL OIL COMPANY (US) 1990-05-22 US disclosed
US-4914176-A Poly(heterocyclic) polymers SHELL OIL COMPANY (US) 1990-04-03 US disclosed