SCHEMBL16066044

SCHEMBL16066044

CCN(CC)c1ccc2c(-c3ccccc3C(=O)NNN)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 4/20 0.57
▸ MEN1 O00255 2/20 0.56
▸ BLM P54132 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ PPARG P37231 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ NCOR2 Q9Y618 1/20 0.56
▸ TGM2 P21980 1/20 0.53
▸ TLR7 Q9NYK1 1/20 0.48
▸ AVPR2 P30518 4/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ NPY4R P50391 3/20 0.44
▸ P2RY6 Q15077 1/20 0.43
▸ THRB P10828 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ABCB1 P08183 1/20 0.41

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
SCHEMBL19392076 0.91 FPR2 (0.57) FPR2MEN1BLMKMT2AUSP2
SCHEMBL12118351 0.91 MEN1 (0.59) FPR2MEN1BLMKMT2AUSP2
SCHEMBL17552990 0.89 MEN1 (0.63) FPR2MEN1BLMKMT2AUSP2
SCHEMBL20078094 0.88 FPR2 (0.57) FPR2MEN1BLMKMT2AUSP2
SCHEMBL13033321 0.88 MEN1 (0.56) FPR2MEN1BLMKMT2AUSP2
SCHEMBL29593395 0.88 MEN1 (0.61) FPR2MEN1BLMKMT2AUSP2
SCHEMBL3903552 0.88 MEN1 (0.61) FPR2MEN1BLMKMT2AUSP2
Rhodamine B SCHEMBL10000882 0.88 MEN1 (0.61) FPR2MEN1BLMKMT2AUSP2
SCHEMBL18760518 0.87 FPR2 (0.56) FPR2MEN1BLMKMT2AUSP2
SCHEMBL9007850 0.87 USP2 (0.59) FPR2MEN1BLMKMT2AUSP2

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
WO-2014144561-A2 LYSOPHOSPHATIDIC ACID DETECTION THE OREGON STATE BOARD OF HIGHER EDUCATION ACTING BY AND THROUGH PORTLAND STATE UNIVERSITY (US) 2014-09-18 — — WO disclosed
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