SCHEMBL23891754

SCHEMBL23891754

CCCCc1cccc2c1OCO2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.48
EED O75530 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2C P28335 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MGAM O43451 1/20 0.37
AMY1A P0DUB6 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 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
SCHEMBL9440359 0.93 MTNR1A (0.48) MTNR1AEEDKDM4C
SCHEMBL19772837 0.89 MTNR1A (0.45) MTNR1AEEDKDM4CHTR2AHTR2C
SCHEMBL7499810 0.82 MTNR1A (0.44) MTNR1AEEDKDM4CHTR2AHTR2C
SCHEMBL17969064 0.82 MTNR1A (0.48) MTNR1AEEDKDM4CHTR2AHTR2C
SCHEMBL2602430 0.81 EED (0.46) MTNR1AEEDKDM4CHTR2AHTR2C
SCHEMBL9579476 0.81 MTNR1A (0.46) MTNR1AEEDKDM4CHTR2AHTR2C
SCHEMBL27483096 0.79 MTNR1A (0.41) MTNR1A
SCHEMBL17186299 0.79 MTNR1A (0.51) MTNR1AHTR2AHTR2CMAPTNPSR1
SCHEMBL3243511 0.78 MTNR1A (0.45) MTNR1AEEDKDM4CHTR2AHTR2C
SCHEMBL4130192 0.78 KDM4C (0.46) MTNR1AEEDKDM4CHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104628910-A Catalyst for producing polypropylene with high isotacticity and preparation method thereof PETROCHINA CO LTD 2015-05-20 CN claimed
EP-3889138-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2021-10-06 EP disclosed
CN-104628910-A Catalyst for producing polypropylene with high isotacticity and preparation method thereof PETROCHINA CO LTD 2015-05-20 CN disclosed