SCHEMBL11023933

SCHEMBL11023933

CCC(N)CC(CC(=O)O)c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.60
L3MBTL1 Q9Y468 1/20 0.54
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
ITGB3 P05106 2/20 0.43
ITGAV P06756 2/20 0.43
AKR1C1 Q04828 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL4453571 0.85 FFAR1 (0.78) FFAR1L3MBTL1FNTAFNTBKMT2A
SCHEMBL2226074 0.83 L3MBTL1 (0.68) FFAR1L3MBTL1FNTAFNTBKMT2A
SCHEMBL10200947 0.80 GABBR2 (0.64) FFAR1L3MBTL1FNTAFNTBKMT2A
SCHEMBL11025431 0.79 AKR1C3 (0.55) FFAR1L3MBTL1AKR1C3AKR1C2AKR1C1
SCHEMBL2452463 0.77 CYP1A2 (0.56) FFAR1L3MBTL1KMT2AATM
SCHEMBL5720961 0.77 CYP1A2 (0.56) FFAR1L3MBTL1KMT2AATM
SCHEMBL7104579 0.77 CYP1A2 (0.56) FFAR1L3MBTL1KMT2AATM
SCHEMBL5702738 0.77 FFAR1 (0.49) FFAR1L3MBTL1KMT2AATM
SCHEMBL28854188 0.77 FFAR1 (0.59) FFAR1L3MBTL1FNTAFNTBKMT2A
SCHEMBL5340895 0.76 L3MBTL1 (0.59) FFAR1L3MBTL1FNTAFNTBKMT2A

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
US-RE31980-E INHIBITOR OF GAMMA-AMINOBUTYRIC ACID TRANSAMINASE MERRELL TORAUDE ET COMPAGNIE (FR) 1985-09-03 US disclosed
US-4039549-A INHIBITS CNS TRANSMITTERS MERRELL TORAUDE ET COMPAGNIE (FR) 1977-08-02 US disclosed
US-3960927-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS RICHARDSON-MERRELL INC. (US) 1976-06-01 US disclosed