SCHEMBL10513431

SCHEMBL10513431

CC(Oc1ccc(-c2ccc(Cl)cn2)cc1O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
MAP4K4 O95819 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
PTGDR Q13258 1/20 0.44
GRIA2 P42262 1/20 0.40
KMO O15229 2/20 0.40
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36

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
SCHEMBL10513666 0.90 GRIA2 (0.40) TSHRHTR2AHTR2CHTR2BMAP4K4
SCHEMBL11603593 0.89 FPR2 (0.40) TSHRHTR2AHTR2CHTR2BMAP4K4
SCHEMBL11602755 0.88 GRIA2 (0.41) TSHRHTR2AHTR2CHTR2BGRIA2
SCHEMBL11434428 0.85 TSHR (0.39) TSHRHTR2AHTR2CHTR2BMAP4K4
SCHEMBL11623656 0.82 SMN1; SMN2 (0.38) TSHRHTR2AHTR2CHTR2BGRIA2
SCHEMBL9820726 0.82 ABCB11 (0.47) PTGDR2P2RX7PPARDPPARA
SCHEMBL10838777 0.82 ABCB11 (0.47) PTGDR2P2RX7PPARDPPARA
SCHEMBL10875664 0.82 TSHR (0.48) TSHRHTR2AHTR2CHTR2BMAP4K4
SCHEMBL6732935 0.82 TSHR (0.47) TSHRHTR2AHTR2CHTR2BMAP4K4
SCHEMBL9763694 0.82 TSHR (0.47) TSHRHTR2AHTR2CHTR2BMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215733-B1 PYRIDYLOXYPHENOXYPROPIONIC ACID DERIVATIVES SANDOZ AG (CH) 1989-06-21 EP claimed
US-4309210-A HERBICIDE AND SAFENING AGENT CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
EP-0012717-A1 Method and composition for the selective pre-emergent control of weeds in cereal cultures CIBA-GEIGY AG (CH) 1980-06-25 EP disclosed
US-4115102-A PYRIDYLOXYPHENOXYALKANE CARBOXYLIC ACIDS ISHIHARA SANGYO KAISHA, LTD. (JP) 1978-09-19 US disclosed
US-4092151-A ALPHA-(4-(5-MONOSUBSTITUTED OR 3,5-DI-SUBSTITUTED-PYRIDYL-2-OXY)PHENOXY)ALKANECARBOXYLIC ACID AND DERIVATIVES ISHIHARA SANGYO KAISHA, LTD. (JA) 1978-05-30 US disclosed
US-4083714-A CONTROLLING WEEDS ISHIHARA SANGYO KAISHA, LTD. (JA) 1978-04-11 US disclosed
US-4046553-A HERBICIDAL COMPOUND, HERBICIDAL COMPOSITION CONTAINING THE SAME AND METHOD OF USE THEREOF ISHIHARA SANGYO KAISHA, LTD. (JA) 1977-09-06 US disclosed