SCHEMBL2170915

SCHEMBL2170915

NC(=O)CCc1ccc(Oc2cccc(Cl)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.58
LPAR1 Q92633 1/20 0.52
LPAR5 Q9H1C0 1/20 0.52
FFAR4 Q5NUL3 3/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
SRD5A2 P31213 1/20 0.47
ADRB3 P13945 2/20 0.47
GNA15 P30679 1/20 0.45
PTGER3 P43115 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
TNKS O95271 1/20 0.44

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
SCHEMBL2171661 0.85 FFAR1 (0.53) FFAR1FFAR4KMT2APPARGSRD5A2
SCHEMBL2173032 0.83 FFAR1 (0.74) FFAR1FFAR4SRD5A2PARP10LTA4H
SCHEMBL1048214 0.80 MAOB (0.61) LPAR1LPAR5MEN1ALDH1A1KMT2A
SCHEMBL4426732 0.79 WDR5 (0.56) FFAR1ALDH1A1ADRB3TNKSPARP15
SCHEMBL18957609 0.79 SLC5A1 (0.62) FFAR1LPAR1LPAR5FFAR4MEN1
SCHEMBL507152 0.78 ST14 (0.62) LPAR1LPAR5MEN1ALDH1A1KMT2A
SCHEMBL2473717 0.78 HTR3E (0.59) MEN1ALDH1A1KMT2A
SCHEMBL30572312 0.78 HTR3E (0.59) MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL31606746 0.77 HTR3E (0.57) MEN1ALDH1A1KMT2A
SCHEMBL9267107 0.77 LPAR1 (0.48) FFAR1LPAR1LPAR5PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed