SCHEMBL2103120

SCHEMBL2103120

C[C@H](Oc1ccc(Cl)cc1I)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
ALOX12 P18054 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL2103584 0.81 ABCB11 (0.42) MAPTHTTNPSR1HPGDCYP1A2
SCHEMBL2099802 0.81 TSHR (0.69) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL3345930 0.81 TSHR (0.69) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL21094904 0.79 SMN1; SMN2 (0.44) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL2099452 0.75 AAK1 (0.43) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL11238875 0.75 TSHR (0.43) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL2104209 0.74 TSHR (0.46) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL1359818 0.73 APP (0.46) SMN1; SMN2LMNAMAPTCYP1A2CYP3A4
SCHEMBL2100681 0.73 ABCB11 (0.47) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL2282240 0.72 SLC6A9 (0.37) TSHRHTR2AHTR2CHTR2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163727-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2012-04-24 US disclosed