SCHEMBL10759703

SCHEMBL10759703

CC(CCC(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HTR2B P41595 1/20 0.59
HDAC3 O15379 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
GPR84 Q9NQS5 3/20 0.55
FFAR1 O14842 2/20 0.55
ADAM17 P78536 1/20 0.52
MGAM O43451 6/20 0.50
GAA P10253 6/20 0.50
SI P14410 6/20 0.50

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
SCHEMBL1307547 0.86 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL6982959 0.85 HTR2A (0.62) HTR2AHTR2CHTR2BHDAC3HDAC1
SCHEMBL29611986 0.85 HTR2A (0.62) HTR2AHTR2CHTR2BHDAC3HDAC1
SCHEMBL3656418 0.85 HTR2A (0.62) HTR2AHTR2CHTR2BHDAC3HDAC1
SCHEMBL6986747 0.85 HTR2A (0.62) HTR2AHTR2CHTR2BHDAC3HDAC1
SCHEMBL29272526 0.84 HTR2A (0.60) HTR2AHTR2CHTR2BHDAC3HDAC1
SCHEMBL29272546 0.84 HTR2A (0.60) HTR2AHTR2CHTR2BHDAC3HDAC1
SCHEMBL27975035 0.84 HTR2A (0.60) HTR2AHTR2CHTR2BHDAC3HDAC1
SCHEMBL29272698 0.84 HTR2A (0.60) HTR2AHTR2CHTR2BHDAC3HDAC1
Ammonia Solution, Strong SCHEMBL11124638 0.84 HTR2A (0.60) HTR2AHTR2CHTR2BHDAC3HDAC1

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
CN-103347874-A Dimeric iap inhibitors NOVARTIS AG 2013-10-09 CN disclosed
EP-0090312-B1 3-ACYL SUBSTITUTED DERIVATIVES OF 2- OR 4-THIAZOLIDINE-CARBOXYLIC ACID HAVING A PHYTO GROWTH REGULATING AND BIOSTIMULATING ACTION Montedison S.p.A. (IT) 1987-09-09 EP disclosed
US-4685954-A 3-acyl substituted of 2- or 4-thiazolidine-carboxylic acid having a phyto growth regulating and biostimulating action MONTEDISON S.P.A (IT) 1987-08-11 US disclosed
US-4655818-A 3-acyl substituted derivatives of 2- or 4-thiazolidine-carboxylic acid having a phyto growth regulating and biostimulating action MONTEDISON S.P.A. (IT) 1987-04-07 US disclosed
EP-0090312-A2 3-Acyl substituted derivatives of 2- or 4-thiazolidine-carboxylic acid having a phyto growth regulating and biostimulating action Montedison S.p.A. (IT) 1983-10-05 EP disclosed