SCHEMBL20078093

SCHEMBL20078093

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.63
▸ BLM P54132 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ USP2 O75604 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ PPARG P37231 1/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.63
▸ NCOR2 Q9Y618 1/20 0.63
▸ TGM2 P21980 1/20 0.56
▸ FPR2 P25090 4/20 0.53
▸ P2RY6 Q15077 1/20 0.49
▸ CHRM1 P11229 1/20 0.48
▸ AVPR2 P30518 4/20 0.46
▸ TLR7 Q9NYK1 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPY4R P50391 3/20 0.42

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
Acetic Acid SCHEMBL29510237 0.92 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
SCHEMBL29593395 0.92 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
Rhodamine B SCHEMBL10000882 0.92 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL3903552 0.92 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL12724913 0.91 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL30207638 0.91 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL29354092 0.91 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL18617 0.91 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
SCHEMBL17663659 0.91 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
SCHEMBL17552990 0.91 MEN1 (0.63) MEN1BLMKMT2AUSP2POLB

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
US-9952231-B2 Lysophosphatidic acid detection PORTLAND STATE UNIVERSITY (US) 2018-04-24 — — US disclosed
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