SCHEMBL5690773

SCHEMBL5690773

CC(C)(C)c1c(O)ccc(CCC(=O)NN)c1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ADAM17 P78536 2/20 0.40
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
CTSD P07339 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL7754793 0.83 TP53 (0.42) ALDH1A1POLBTP53
SCHEMBL8628066 0.82 POLB (0.43) GAAALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL9489697 0.81 KMT2A (0.43) GAAALDH1A1MAPTPOLBKMT2A
SCHEMBL55627 0.81 POLB (0.47) ALDH1A1CDK8CYP3A4POLB
SCHEMBL30337061 0.81 POLB (0.47) ALDH1A1CDK8CYP3A4POLB
SCHEMBL7247782 0.80 CNR1 (0.39) GAAALDH1A1MAPTCCNCCDK8
Methane SCHEMBL9285119 0.80 POLB (0.46) ALDH1A1CDK8CYP3A4POLB
SCHEMBL23067414 0.75 GAA (0.46) GAAALDH1A1MAPTCCNCCDK8
SCHEMBL27424171 0.75 CYP4F2 (0.50) GAAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27312777 0.74 GAA (0.57) GAAALDH1A1MAPTADAM17CCNC

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
EP-1321469-B1 Stabilizers to inhibit the polymerization of substituted cyclotetrasiloxanes AIR PROD & CHEM (US) 2006-03-22 EP claimed
EP-1321469-A1 Stabilizers to inhibit the polymerization of substituted cyclotetrasiloxane AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-06-25 EP claimed