SCHEMBL5397496

SCHEMBL5397496

CC1(C)C(C=C(Cl)Cl)[C@@]1(Cc1cccc(Oc2ccccc2)c1)C(=O)OC#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
ATM Q13315 2/20 0.48
LMNA P02545 1/20 0.48
ADRA2A P08913 1/20 0.48
CNR1 P21554 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.43
DPP4 P27487 2/20 0.36
FAP Q12884 2/20 0.36
DPP7 Q9UHL4 1/20 0.36
FFAR1 O14842 4/20 0.35
PTGES O14684 1/20 0.35
P2RX3 P56373 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ADAM17 P78536 1/20 0.35
AKR1C3 P42330 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CETP P11597 1/20 0.34

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
SCHEMBL28314023 0.92 TDP1 (0.43) TDP1ATMLMNAADRA2ACNR1
SCHEMBL8680251 0.91 TDP1 (0.41) TDP1ATMLMNAADRA2ACNR1
SCHEMBL5043710 0.86 TDP1 (0.54) TDP1ATMLMNAADRA2ACNR1
SCHEMBL9020889 0.86 TDP1 (0.54) TDP1ATMLMNAADRA2ACNR1
SCHEMBL8210825 0.86 TDP1 (0.54) TDP1ATMLMNAADRA2ACNR1
SCHEMBL11200747 0.84 TDP1 (0.47) TDP1ATMLMNAADRA2ACNR1
SCHEMBL11220475 0.81 TDP1 (0.48) TDP1ATMLMNAADRA2ACNR1
SCHEMBL11152897 0.79 TDP1 (0.46) TDP1ATMLMNAADRA2ACNR1
SCHEMBL23824720 0.78 TDP1 (0.54) TDP1ATMLMNAADRA2ACNR1
SCHEMBL5854396 0.78 TDP1 (0.54) TDP1ATMLMNAADRA2ACNR1

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
US-7215878-B2 Chip that comprises an active agent and an integrated heating element S.C. JOHNSON & SON, INC. (US) 2007-05-08 US disclosed
US-20030049025-A1 Chip that comprises an active agent and an integrated heating element S.C. JOHNSON & SON, INC. 2003-03-13 US disclosed