SCHEMBL5584070

SCHEMBL5584070

CC(C)(C)c1cc(Oc2cc[c]cc2)cc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
FGFR2 P21802 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
ELANE P08246 1/20 0.31
RECQL P46063 1/20 0.30

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
SCHEMBL1282313 0.83 MAPT (0.61) RAB9AMAPTALDH1A1NPC1HPGD
SCHEMBL2261145 0.83 CYP2C9 (0.49) RAB9AMAPTALDH1A1NPC1HPGD
SCHEMBL1283659 0.80 TLR8 (0.41) RAB9A
SCHEMBL14586635 0.78 TSHR (0.50) RAB9AMAPTALDH1A1NPC1HPGD
SCHEMBL5583642 0.76 ALDH1A1 (0.74) RAB9AMAPTALDH1A1NPC1HPGD
SCHEMBL11610464 0.76 MAPT (0.47) RAB9AMAPTALDH1A1NPC1HPGD
SCHEMBL11748713 0.76 NPC1 (0.47) RAB9AMAPTALDH1A1NPC1HPGD
SCHEMBL11754551 0.76 MAPT (0.47) RAB9AMAPTALDH1A1NPC1HPGD
SCHEMBL6544832 0.76 CA2 (0.53) RAB9AMAPTALDH1A1NPC1HPGD
SCHEMBL609237 0.75 LTA4H (0.44) RAB9AMAPTALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US claimed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP claimed
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed