SCHEMBL11166300

SCHEMBL11166300

CC1(C)CC(CCCCCCCC(=O)O)CC(C)(C)N1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PTGER1 P34995 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER2 P43116 1/20 0.40
HDAC3 O15379 4/20 0.40
HDAC4 P56524 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC11 Q96DB2 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC9 Q9UKV0 4/20 0.40
HDAC5 Q9UQL6 4/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Sebacic Acid SCHEMBL10676479 0.87 MAPT (0.46) MAPTRXFP1PTGER1PTGFRPTGER2
Sebacic Acid SCHEMBL9813717 0.87 MAPT (0.46) MAPTRXFP1PTGER1PTGFRPTGER2
Stearic Acid SCHEMBL9813592 0.82 ALDH1A1 (0.43) MAPTRXFP1HDAC11ABL1RIN1
Succinic Acid SCHEMBL11829402 0.80 AMPD2 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11630105 0.78 LTB4R (0.39) MAPTRXFP1PTGER1PTGFRPTGER2
SCHEMBL9243231 0.77 KMT2A (0.43) MAPTAMPD2ABL1RIN1
SCHEMBL11174698 0.77 GPR84 (0.39) HDAC11
SCHEMBL11055407 0.77 CHRM4 (0.39) SMN1; SMN2AMPD2ACHEBCHE
SCHEMBL11366856 0.76 MAOB (0.40) SLC6A3AMPD2ACHE
SCHEMBL15300078 0.76 KDM5A (0.43) HDAC11

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
US-RE31343-E STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1983-08-09 US disclosed
US-RE31342-E STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1983-08-09 US disclosed