SCHEMBL21537501

SCHEMBL21537501

CCC(C)(C)c1cccc(C(C)CI)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KIF11 P52732 2/20 0.34
RIPK1 Q13546 1/20 0.33
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
PNMT P11086 1/20 0.32
MAPT P10636 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
SCHEMBL22100127 0.88 KIF11 (0.35) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL3629026 0.82 KIF11 (0.47) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL11399186 0.80 LMNA (0.45) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10593403 0.77 NPC1 (0.45) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL779789 0.75 MAPK1 (0.52) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL4943386 0.74 PTGS2 (0.50) NPC1RAB9ALMNAMAPK1CASP3
Water SCHEMBL27961448 0.73 MAPK1 (0.50) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL23417068 0.73 CETP (0.35) KIF11RIPK1
SCHEMBL21227096 0.72 RAB9A (0.46) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL28107086 0.72 HDAC4 (0.50) NPC1RAB9ACASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11045787-B2 Composite granules including polymeric sorbent for aldehydes 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-06-29 US disclosed
US-10967358-B2 2021-04-06 US disclosed
US-20200122071-A1 Air Filters Comprising Polymeric Sorbents for Aldehydes 3M INNOVATIVE PROPERTIES COMPANY 2020-04-23 US disclosed
US-10464045-B1 Hydrolyzed divinylbenzene/maleic anhydride polymeric sorbents for carbon dioxide 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-11-05 US disclosed