SCHEMBL11528100

SCHEMBL11528100

C=CC(C)(CCCCCC)C(=Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.46
EGFR P00533 1/20 0.42
AKR1C3 P42330 1/20 0.37
ELANE P08246 1/20 0.37
GAA P10253 1/20 0.36
HDAC3 O15379 1/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36
TUBB6 Q9BUF5 2/20 0.36

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
SCHEMBL6447697 0.74 AKR1C3 (0.46) TDP1LMNAEGFRAKR1C3ELANE
SCHEMBL6447696 0.74 AKR1C3 (0.46) TDP1LMNAEGFRAKR1C3ELANE
SCHEMBL4633633 0.73 HSD17B10 (0.41) TDP1MEN1KMT2ACES2
SCHEMBL3271498 0.73 HSD17B10 (0.41) TDP1MEN1KMT2ACES2
SCHEMBL3276878 0.71 HSD17B10 (0.39) TDP1MEN1KMT2ACES2
SCHEMBL525210 0.69 AKR1C3 (0.55) TDP1LMNAEGFRAKR1C3MEN1
SCHEMBL525211 0.69 AKR1C3 (0.55) TDP1LMNAEGFRAKR1C3MEN1
SCHEMBL27533942 0.69 FDPS (0.39) MEN1KMT2ACES2
Styrene SCHEMBL27460077 0.68 TDP1 (0.50) TDP1LMNAEGFRAKR1C3ELANE
SCHEMBL9302259 0.68 TDP1 (0.67) TDP1LMNAEGFRMEN1KMT2A

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-4168248-A CONTAINING A METHYL NONANOL OR NONENOL OR ITS CARBOXYLIC ESTER FRITZSCHE DODGE & OLCOTT INC. (US) 1979-09-18 US disclosed