SCHEMBL7790577

SCHEMBL7790577

Cc1ccc(P(c2ccc(C)cc2)C(C)C(C)P(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 5/20 0.35
CA7 P43166 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CHRNA7 P36544 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 3/20 0.32
PKM P14618 2/20 0.32
HTT P42858 2/20 0.32
ATM Q13315 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL12584882 1.00 ACHE (0.44) ACHETDP1ALDH1A1CA7CA1
SCHEMBL4378627 0.90 ACHE (0.40) ACHETDP1ALDH1A1CA7CA1
SCHEMBL4380162 0.85 ACHE (0.36) ACHETDP1MAPT
SCHEMBL25201319 0.83 ACHE (0.44) ACHETDP1ALDH1A1CA7CA1
SCHEMBL9302819 0.83 ACHE (0.44) ACHETDP1ALDH1A1CA7CA1
SCHEMBL4375424 0.82 ACHE (0.33) ACHETDP1CA7MAPTCYP1A2
SCHEMBL4374644 0.79 CA12 (0.38) ACHETDP1CA2CA9MAPT
SCHEMBL16447448 0.77 ACHE (0.38) ACHETDP1ALDH1A1CA7CA1
SCHEMBL4379629 0.77 ACHE (0.38) ACHETDP1ALDH1A1CA7CA1
SCHEMBL24363123 0.76 ACHE (0.42) ACHETDP1ALDH1A1CA7CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0761628-B1 Method for producing 3,7-dimethyl-5,7-octadiene-1-ol or rose oxide TAKASAGO PERFUMERY CO LTD (JP) 2001-11-14 EP disclosed
US-5672783-A Method for producing 3,7-dimethyl-5,7-octadiene-1-ol or rose oxide TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-09-30 US disclosed
EP-0761628-A1 Method for producing 3,7-dimethyl-5,7-octadiene-1-ol or rose oxide Takasago International Corporation (JP) 1997-03-12 EP disclosed