SCHEMBL10967862

SCHEMBL10967862

CCN(CC)C(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 3/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TSPO P30536 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL11265453 0.85 FFAR1 (0.56) FFAR1ALDH1A1L3MBTL1MEN1LMNA
SCHEMBL9492512 0.82 FFAR1 (0.57) FFAR1SMN1; SMN2HPGDALDH1A1L3MBTL1
Diclofop SCHEMBL1011415 0.82 FFAR1 (0.62) FFAR1SMN1; SMN2HPGDTSHRCYP1A2
Diclofop SCHEMBL30583165 0.82 FFAR1 (0.62) FFAR1SMN1; SMN2HPGDTSHRCYP1A2
SCHEMBL17859582 0.82 FFAR1 (0.59) FFAR1SMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL10430655 0.82 FFAR1 (0.59) FFAR1SMN1; SMN2HPGDTSHRALDH1A1
Diclofop SCHEMBL66474 0.82 FFAR1 (0.62) FFAR1SMN1; SMN2HPGDTSHRCYP1A2
Diclofop SCHEMBL4895804 0.82 FFAR1 (0.62) FFAR1SMN1; SMN2HPGDTSHRCYP1A2
SCHEMBL10964062 0.81 FFAR1 (0.57) FFAR1SMN1; SMN2HPGDTSHRALDH1A1
Diclofop SCHEMBL11436235 0.80 FFAR1 (0.60) FFAR1SMN1; SMN2TSHRCYP1A2CYP2C9

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-4531969-A Combatting growth of weeds HOECHST AKTIENGESELLSCHAFT (DE) 1985-07-30 US disclosed
EP-0002800-B1 Optically active alpha-phenoxypropionic acid dervatives HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-02 EP disclosed