SCHEMBL9065267

SCHEMBL9065267

CCCCCCOC(=O)c1ccccc1Cl

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.79
TSHR P16473 4/20 0.79
LMNA P02545 2/20 0.79
CYP3A4 P08684 2/20 0.76
MAPK1 P28482 2/20 0.76
TP53 P04637 1/20 0.76
HSD17B10 Q99714 2/20 0.68
KDM4E B2RXH2 2/20 0.68
POLB P06746 1/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
TDP1 Q9NUW8 2/20 0.68
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL6057099 1.00 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL27571824 1.00 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL9342127 1.00 ALDH1A1 (0.79) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL2059634 0.98 TSHR (0.78) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL7937585 0.94 ALDH1A1 (0.70) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL2059607 0.94 TSHR (0.77) ALDH1A1TSHRLMNACYP3A4MAPK1
1,2-Dichlorobenzene SCHEMBL10902521 0.90 ALDH1A1 (0.77) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL11331743 0.89 TSHR (0.63) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL81945 0.89 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL7219181 0.89 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US claimed
CN-101018847-B Improvements in or relating to organic compositions RECKITT BENCKISER INC 2011-05-11 CN disclosed
CN-101018847-A Improvements in or relating to organic compositions RECKITT BENCKISER INC (US) 2007-08-15 CN disclosed
CN-1332787-A fabric care compositions and methods PROCTER & GAMBLE (US) 2002-01-23 CN disclosed
EP-0571770-B1 Method for producing an asymmetric biaryl derivative IHARA CHEMICAL IND CO (JP) 1996-07-10 EP disclosed
US-5504224-A Preparation of monocyclopentadienyl metal complexes by nucleophilic substitution of bis(cyclopentadienyl) metal complexes THE DOW CHEMICAL COMPANY (US) 1996-04-02 US disclosed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US disclosed
EP-0571770-A1 Method for producing an asymmetric biaryl derivative IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1993-12-01 EP disclosed