SCHEMBL8010053

SCHEMBL8010053

C=CCCCC(CCCCCC)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
SHBG P04278 1/20 0.33
EPHX1 P07099 4/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL28852334 0.94 TSHR (0.48) TSHRALDH1A1SIGMAR1PLA2G2CSHBG
SCHEMBL29047311 0.94 TSHR (0.47) TSHRALDH1A1PLA2G2CSHBG
SCHEMBL17215700 0.94 TSHR (0.42) TSHRALDH1A1SIGMAR1PLA2G2CSHBG
SCHEMBL29047254 0.92 TSHR (0.48) TSHRALDH1A1PLA2G2CSHBG
SCHEMBL8011138 0.86 SHBG (0.43) TSHRSIGMAR1SHBGEPHX1EPHX2
SCHEMBL11675599 0.86 SHBG (0.43) TSHRSIGMAR1SHBGEPHX1EPHX2
SCHEMBL16109513 0.86 SHBG (0.43) TSHRSIGMAR1SHBGEPHX1EPHX2
SCHEMBL27829867 0.86 SHBG (0.43) TSHRSIGMAR1SHBGEPHX1EPHX2
SCHEMBL314955 0.86 SHBG (0.43) TSHRSIGMAR1SHBGEPHX1EPHX2
SCHEMBL27939506 0.86 SHBG (0.43) TSHRSIGMAR1SHBGEPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6105691-A CONTAINING CAUSTIC, A NATURAL WAX, A NATURAL THINNER, GLYCEROL, PHOSPHORIC ACID AND/OR BORIC ACID FOR INCREASING DRILLING LUBRICATION, THINNING THE DRILLING MUD, DECREASING BIT BALLING AND ROCK RESISTANCE SPECTRAL, INC. (US) 2000-08-22 US disclosed