SCHEMBL6421630

SCHEMBL6421630

CCC(C)(C)C(C(O)Oc1ccccc1)C(C)(C)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CYP2D6 P10635 2/20 0.41
POLB P06746 1/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA4 P43681 2/20 0.37
LTA4H P09960 2/20 0.36
TRPA1 O75762 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RECQL P46063 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
SCHEMBL25723218 0.81 LMNA (0.46) LMNACYP2D6POLBCHRNB2CHRNB4
SCHEMBL28583037 0.77 TRPA1 (0.46) LMNACYP2D6CHRNB2CHRNB4CHRNA3
SCHEMBL25825906 0.76 LMNA (0.42) LMNACYP2D6POLBCHRNB2CHRNB4
SCHEMBL13990822 0.74 LTA4H (0.38) LMNACYP2D6CHRNB2CHRNB4CHRNA3
SCHEMBL2046224 0.74 ALOX15 (0.44) LMNAMTNR1AMTNR1BALDH1A1TDP1
SCHEMBL19223071 0.72 TRPA1 (0.48) LMNACYP2D6TRPA1MTNR1AMTNR1B
SCHEMBL8132529 0.71 PPARA (0.40) LMNAMTNR1AMTNR1BALDH1A1TDP1
SCHEMBL9029315 0.70 SLC7A5 (0.42)
SCHEMBL14199719 0.70 ALDH1A1 (0.46) LMNACYP2D6POLBCHRNB2CHRNB4
SCHEMBL7671028 0.70 LMNA (0.48) LMNACYP2D6CHRNB4CHRNA3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117117193-A Secondary battery, method for manufacturing the same, and electronic device 宁德新能源科技有限公司 2023-11-24 CN disclosed
US-20050255344-A1 Fuel cell-use liquid fuel and fuel cell using this, and application method for fuel cell using this NEC CORPORATION (JP) 2005-11-17 US disclosed