SCHEMBL8948017

SCHEMBL8948017

Cc1ccc(C2(C)CC(C)(C)c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRB2 P07550 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 4/20 0.35
CCR2 P41597 1/20 0.34
PLIN1 O60240 1/20 0.34
PLIN5 Q00G26 1/20 0.34
ABHD5 Q8WTS1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOB P27338 3/20 0.33
MAOA P21397 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL29436894 0.86 MEN1 (0.46) OPRM1ATMMAPTNPSR1MEN1
SCHEMBL503853 0.86 MEN1 (0.46) OPRM1ATMMAPTNPSR1MEN1
SCHEMBL807632 0.83 MEN1 (0.44) ATMMAPTNPSR1MEN1KMT2A
SCHEMBL28524816 0.83 ATM (0.39) ATMMAPTNPSR1MEN1KMT2A
SCHEMBL2029777 0.83 MAPT (0.41) MAPTSMN1; SMN2TP53CCR2TDP1
SCHEMBL10711448 0.83 TP53 (0.41) ATMMAPTNPSR1MEN1KMT2A
SCHEMBL24689166 0.80 ALDH1A1 (0.39) ATMMAPTNPSR1MEN1KMT2A
SCHEMBL9230020 0.80 ATM (0.37) ATMMAPTNPSR1MEN1KMT2A
SCHEMBL9453716 0.80 CYP2C19 (0.43) OPRM1ATMMAPTNPSR1MEN1
Fluorobenzene SCHEMBL17956587 0.78 MEN1 (0.41) ATMMAPTNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10591838-B2 Electrostatic ink compositions HP INDIGO B.V. (NL) 2020-03-17 US disclosed
US-20190016907-A1 ELECTROSTATIC INK COMPOSITIONS HP INDIGO B.V. (NL) 2019-01-17 US disclosed
US-5500040-A Ultraviolet-curable thermochromic ink composition SAKURA COLOR PRODUCTS CORPORATION (JP) 1996-03-19 US disclosed