SCHEMBL7376003

SCHEMBL7376003

CCC(Br)CC(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.43
FOLH1 Q04609 2/20 0.43
ENPEP Q07075 2/20 0.43
GABRR1 P24046 2/20 0.39
CYP1A2 P05177 1/20 0.39
ACE2 Q9BYF1 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
BLM P54132 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
HDAC3 O15379 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
SCHEMBL24022273 0.81 FOLH1 (0.34) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL1766715 0.77
SCHEMBL642463 0.76 GPR84 (0.40) SLC1A3SLC1A2SLC1A1ALDH1A1THRB
SCHEMBL7314519 0.76 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL10938417 0.76 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL443229 0.76 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL1572858 0.75 NAALAD2 (0.46) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL8037989 0.75
SCHEMBL9272361 0.75 NAALAD2 (0.46) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL2696819 0.75 NAALAD2 (0.46) NAALAD2FOLH1ENPEPGABRR1CYP1A2

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-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed
US-4046889-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS, ANGIOTENSIN CONVERSION E. R. SQUIBB & SONS, INC. (US) 1977-09-06 US disclosed