SCHEMBL14880592

SCHEMBL14880592

CC1=C(C)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.56
▸ SULT1E1 P49888 1/20 0.51
▸ CYP19A1 P11511 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALOX5 P09917 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ FDPS P14324 3/20 0.32
▸ GGPS1 O95749 2/20 0.32
▸ CHRNB2 P17787 2/20 0.31
▸ CHRNB4 P30926 2/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ CHRNA7 P36544 2/20 0.31
▸ CHRNA4 P43681 2/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ MAPT P10636 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
SCHEMBL13856769 0.73 TSHR (1.00) TSHRSULT1E1ALDH1A1CYP3A4ALOX15
SCHEMBL8667490 0.73 TSHR (0.59) TSHRSULT1E1CYP19A1ALDH1A1FDPS
SCHEMBL16010771 0.70 TSHR (0.35) TSHRSULT1E1CYP19A1
SCHEMBL13446722 0.69 SULT1E1 (1.00) TSHRSULT1E1ALDH1A1CYP3A4MAPT
SCHEMBL5013007 0.67 ESR1 (0.46) TSHRSULT1E1CYP19A1ALDH1A1CYP3A4
SCHEMBL19770987 0.67 ESR1 (0.46) TSHRSULT1E1CYP19A1ALDH1A1CYP3A4
SCHEMBL5013008 0.67 ESR1 (0.46) TSHRSULT1E1CYP19A1ALDH1A1CYP3A4
SCHEMBL29403700 0.67 ESR1 (0.48) TSHRSULT1E1CYP19A1ALDH1A1CYP3A4
SCHEMBL30697299 0.65 ESR1 (0.46) TSHRSULT1E1ALDH1A1CYP3A4ALOX15
SCHEMBL14880005 0.64 CYP19A1 (0.49) TSHRCYP19A1ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150059018-A1 METHODS AND COMPOSITIONS FOR PRODUCING DRIMENOL KEYGENE N.V. (NL) 2015-02-26 — — US claimed
EP-2768955-A1 METHODS AND COMPOSITIONS FOR PRODUCING DRIMENOL Keygene N.V. (NL) 2014-08-27 — — EP claimed
WO-2013058655-A1 METHODS AND COMPOSITIONS FOR PRODUCING DRIMENOL KEYGENE N.V. (NL) 2013-04-25 — — WO claimed
US-20150059018-A1 METHODS AND COMPOSITIONS FOR PRODUCING DRIMENOL KEYGENE N.V. (NL) 2015-02-26 — — US disclosed
US-20140259223-A1 METHODS FOR PRODUCING CINNAMOLIDE AND/OR DRIMENDIOL KEYGENE N.V. (NL) 2014-09-11 — — US disclosed
EP-2768955-A1 METHODS AND COMPOSITIONS FOR PRODUCING DRIMENOL Keygene N.V. (NL) 2014-08-27 — — EP disclosed
EP-2768952-A2 METHODS FOR PRODUCING CINNAMOLIDE AND/OR DRIMENDIOL Keygene N.V. (NL) 2014-08-27 — — EP disclosed
WO-2013058654-A2 METHODS FOR PRODUCING CINNAMOLIDE AND/OR DRIMENDIOL KEYGENE N.V. (NL) 2013-04-25 — — WO disclosed
WO-2013058655-A1 METHODS AND COMPOSITIONS FOR PRODUCING DRIMENOL KEYGENE N.V. (NL) 2013-04-25 — — WO disclosed
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