SCHEMBL6866121

SCHEMBL6866121

CCCCC(CO)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
SIGMAR1 Q99720 3/20 0.37
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
MMP12 P39900 1/20 0.36
ECE1 P42892 1/20 0.36
MMP13 P45452 1/20 0.36
EPHX1 P07099 7/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34
METAP1 P53582 1/20 0.34

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
SCHEMBL10999653 1.00 SHBG (0.40) SHBGALDH1A1CYP1A2SIGMAR1MMP1
SCHEMBL8829757 0.92 LMNA (0.45) SIGMAR1EPHX1TSHRLMNAEPHX2
SCHEMBL18706486 0.88 SHBG (0.43) SHBGALDH1A1CYP1A2EPHX1TSHR
SCHEMBL14402663 0.88 SHBG (0.43) SHBGALDH1A1CYP1A2EPHX1TSHR
SCHEMBL11002161 0.86 SHBG (0.39) SHBGALDH1A1CYP1A2SIGMAR1MMP1
SCHEMBL11001588 0.86 SHBG (0.39) SHBGALDH1A1CYP1A2SIGMAR1MMP1
SCHEMBL9642401 0.83 LMNA (0.46) ALDH1A1CYP1A2LMNA
SCHEMBL9204725 0.83 SHBG (0.48) SHBGALDH1A1CYP1A2SIGMAR1MMP1
SCHEMBL16892649 0.83 ALDH1A1 (0.37) SHBGALDH1A1EPHX1LMNA
SCHEMBL19175664 0.83 SHBG (0.43) SHBGALDH1A1CYP1A2SIGMAR1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092423-A1 Composition for reducing fabric wrinkles and method for using the same DIAL CORPORATION, THE 2004-05-13 US disclosed
WO-2003089020-A1 COMPOSITION FOR REDUCING MALODORS AND METHOD FOR USING THE SAME THE DIAL CORPORATION (US) 2003-10-30 WO disclosed
US-20030199402-A1 Composition for reducing malodors and method for using the same DIAL CORPORATION, THE 2003-10-23 US disclosed
US-4719105-A Method, compositions and compounds useful in room fresheners employing cyclohexyl alcohol and ester derivatives BUSH BOAKE ALLEN, INC. (GB) 1988-01-12 US disclosed
US-4522948-A SPERMICIDAL AND SPERMATOSTATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1985-06-11 US disclosed
EP-0064245-A1 Spermicidal substituted 1-(cycloalkyl)alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-11-10 EP disclosed