SCHEMBL4595048

SCHEMBL4595048

O=C(O)c1ccc(C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
ALOX15 P16050 1/20 0.71
SRD5A2 P31213 3/20 0.63
CYP19A1 P11511 4/20 0.53
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.50
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NR4A2 P43354 1/20 0.47
POLB P06746 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
MIF P14174 1/20 0.47
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 1/20 0.45

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
4-Chloro-Benzoic Acid SCHEMBL28384 0.84 TSHR (1.00) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL1331727 0.84 TSHR (1.00) TSHRALOX15SRD5A2ALDH1A1TP53
SCHEMBL407595 0.83 TSHR (0.56) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL3150134 0.82 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL9120766 0.82 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL32665742 0.82 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL9316886 0.82 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL7634885 0.82 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL8024007 0.82 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53
4-Chloro-Benzoic Acid SCHEMBL2918294 0.82 TSHR (0.94) TSHRALOX15SRD5A2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314745-B1 Process for preparing trityl group containing polystyrene resins UNB CHEMICAL CORP (KR) 2008-01-09 EP disclosed
US-6875822-B2 Process for preparing tritylated polystyrene resin BEADTECH, INC. (KR) 2005-04-05 US disclosed
US-20030105243-A1 Process for preparing tritylated polystylene resin UNB CHEMICAL CORPORATION (KR) 2003-06-05 US disclosed
EP-1314745-A1 Process for preparing trityl group containing polystyrene resins Beadtech Inc. (KR) 2003-05-28 EP disclosed
US-5922890-A TRITYL AMIDE OR ACID LINKERS FOR SOLID PHASE SYNTHESIS NOVARTIS AG (CH) 1999-07-13 US disclosed