SCHEMBL3472564

SCHEMBL3472564

C=C(C)c1ccccc1C(C)(C)N

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CA2 P00918 1/20 0.32
ATM Q13315 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
SLC6A2 P23975 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
Hydrochloric Acid SCHEMBL10429539 0.98 TDP1 (0.34) TDP1ALDH1A1TSHRCA2ATM
SCHEMBL713859 0.83 ALDH1A1 (0.48) TDP1ALDH1A1TSHRCA2ATM
SCHEMBL7519912 0.81 ALDH1A1 (0.37) TDP1ALDH1A1TSHRCA2ATM
SCHEMBL8676202 0.79 TDP1 (0.35) TDP1ALDH1A1TSHRCA2ATM
Hydrochloric Acid SCHEMBL27486309 0.78 PDK2 (0.39) TDP1ALDH1A1TSHR
Methacrylic Acid SCHEMBL27469335 0.77 TDP1 (0.35) TDP1ALDH1A1TSHRCA2ATM
SCHEMBL14394310 0.77 LMNA (0.50)
SCHEMBL8802426 0.75 ALDH1A1 (0.48) TDP1ALDH1A1TSHR
SCHEMBL4679095 0.75 ALDH1A1 (0.52) TDP1ALDH1A1TSHRCA2
SCHEMBL11883254 0.75 ALDH1A1 (0.50) TDP1ALDH1A1TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006110540-A2 ANTIMICROBIAL POLYMER COATINGS AND A METHOD PRODUCING THEM VIA CHEMICAL VAPOUR DEPOSITION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-19 WO claimed
US-20060228966-A1 Chemical vapor deposition of antimicrobial polymer coatings MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-12 US claimed
US-20100303877-A1 Controlled Release Hydrogel Films BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-12-02 US disclosed
US-7563734-B2 Chemical vapor deposition of antimicrobial polymer coatings MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-21 US disclosed
WO-2006110540-A2 ANTIMICROBIAL POLYMER COATINGS AND A METHOD PRODUCING THEM VIA CHEMICAL VAPOUR DEPOSITION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-19 WO disclosed
US-20060228966-A1 Chemical vapor deposition of antimicrobial polymer coatings MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-12 US disclosed