SCHEMBL7054972

SCHEMBL7054972

[CH2]c1ccc(C(C)(C)CC(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL18016866 0.78 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18016868 0.78
SCHEMBL6681969 0.77 TAAR1 (0.54) ESR1ESR2TAAR1GRIN2DGRIN1
SCHEMBL8279047 0.75 SHBG (0.31) SHBGTP53TSHRESR1ESR2
SCHEMBL1718902 0.75 NPC1 (0.48) SHBG
SCHEMBL10358922 0.74 TAAR1 (0.31) TAAR1
SCHEMBL20097983 0.74 KIF11 (0.39)
SCHEMBL24729123 0.74 NR1H4 (0.43) TP53
SCHEMBL1718278 0.73 SHBG (0.61) SHBGTP53TSHRESR1ESR2
SCHEMBL12197958 0.72 KMT2A (0.33)

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-1303263-A2 ANTIBACTERIAL METHOD AND COMPOSITION WTH PHENOLIC COMPOUNDS Colgate-Palmolive Company (US) 2003-04-23 EP disclosed
US-6403652-B1 A METHOD FOR INHIBITING METHICILLIN DRUG RESISTANT BACTERIA USING A PHENOLIC COMPOUND. COLGATE-PALMOLIVE COMPANY 2002-06-11 US disclosed
WO-2002002098-A2 ANTIBACTERIAL METHOD AND COMPOSITION WITH PHENOLIC COMPOUNDS COLGATE-PALMOLIVE COMPANY (US) 2002-01-10 WO disclosed