SCHEMBL9672152

SCHEMBL9672152

O=C(Cl)c1ccc(C(=O)Cl)c(Oc2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.49
TTR P02766 2/20 0.48
POLB P06746 1/20 0.48
SRD5A2 P31213 6/20 0.47
AKR1C3 P42330 1/20 0.44
MBTD1 Q05BQ5 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
SERPINE1 P05121 1/20 0.43
CTNNB1 P35222 1/20 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
SCHEMBL8752172 0.97 TTR (0.50) PARP10TTRPOLBSRD5A2AKR1C3
SCHEMBL9673278 0.91 TTR (0.42) PARP10TTRPOLBMBTD1L3MBTL3
SCHEMBL9243809 0.89 POLB (0.47) PARP10TTRPOLBSRD5A2AKR1C3
SCHEMBL11332512 0.86 PARP10 (0.46) PARP10TTRPOLBL3MBTL1
SCHEMBL9672200 0.84 KMT2A (0.40) TTRPOLBSRD5A2L3MBTL1
SCHEMBL9243804 0.82 CTNNB1 (0.62) PARP10SRD5A2L3MBTL1CTNNB1
SCHEMBL9249310 0.81 PARP10 (0.64) PARP10SRD5A2AKR1C3ERCC5FEN1
SCHEMBL21786 0.81 PARP10 (0.64) PARP10SRD5A2AKR1C3ERCC5FEN1
SCHEMBL9243798 0.80 PARP10 (0.53) PARP10TTRSRD5A2L3MBTL1ERCC5
Hydrochloric Acid SCHEMBL9672161 0.79 TTR (0.60) PARP10TTRPOLBSRD5A2AKR1C3

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-5134219-A STIFF-CHAIN POLYHETEROCYCLES HAVING IMPROVED SOLUBILITY, A PROCESS FOR THEIR PRODUCTION AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 1992-07-28 US disclosed
EP-0432562-A1 Polyhétérocycles with rigid chain and better solubility, their process of production and use BAYER AG (DE) 1991-06-19 EP disclosed