SCHEMBL24097461

SCHEMBL24097461

COc1cccc(N(Cc2cccc(OC/C=C/C(=O)Cl)c2)C(=O)CCN)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.45
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
LTB4R2 Q9NPC1 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KMT2A Q03164 3/20 0.39
BCL2A1 Q16548 1/20 0.39
MEN1 O00255 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL25710919 0.86 PTGDR2 (0.55) PTGDR2MTNR1AMTNR1BCHRM2CHRM1
SCHEMBL25525811 0.76 PTGDR2 (0.54) PTGDR2MTNR1AMTNR1BCHRM2CHRM1
SCHEMBL25525382 0.74 MTNR1A (0.58) PTGDR2MTNR1AMTNR1BCHRM2CHRM1
SCHEMBL24097456 0.71 MTNR1B (0.52) PTGDR2MTNR1AMTNR1BPTGESALOX5
SCHEMBL27876348 0.69 ALDH1A1 (0.54) PTGDR2MTNR1AMTNR1BCHRM2CHRM1
SCHEMBL24097453 0.69 MTNR1B (0.51) PTGDR2MTNR1AMTNR1BLTB4R2PTGES
SCHEMBL935176 0.67 PTGDR2 (0.61) PTGDR2MTNR1AMTNR1BLTB4R2BCHE
SCHEMBL31186721 0.66 ALDH1A1 (0.60) PTGDR2CHRM2CHRM1CHRM3PTGES
SCHEMBL27791910 0.66 HDAC2 (0.70) PTGDR2MTNR1AMTNR1BCHRM2CHRM1
SCHEMBL30855383 0.66 TSPO (0.54) MTNR1AMTNR1BPTGESALOX5BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685801-B2 Derivatizable monomers and polymers, and methods for making and using same RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-06-27 US disclosed
US-20210388138-A1 DERIVATIZABLE MONOMERS AND POLYMERS, AND METHODS FOR MAKING AND USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2021-12-16 US disclosed