SCHEMBL4907349

SCHEMBL4907349

CCC(C)(C)c1c([N+](=O)[O-])cc([N+](=O)[O-])c(C(C)(C)CC)c1C(C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.40
TSHR P16473 3/20 0.36
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 5/20 0.36
CYP3A4 P08684 4/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
VCAM1 P19320 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL8653042 0.89 ALDH1A1 (0.38) GPR35TSHRALDH1A1KDM4ETDP1
SCHEMBL9642841 0.85 ALDH1A1 (0.44) GPR35TSHRALDH1A1KDM4ETDP1
SCHEMBL3071646 0.73 ALDH1A1 (0.56) GPR35ALDH1A1KDM4ETDP1CYP3A4
SCHEMBL18924893 0.72 CYP2C19 (0.44) GPR35TSHRALDH1A1KDM4ETDP1
SCHEMBL15157099 0.72 TSHR (0.53) GPR35TSHRALDH1A1TDP1CYP3A4
SCHEMBL28570533 0.72 GPR35 (0.68) GPR35TSHRALDH1A1KDM4ETDP1
SCHEMBL28282589 0.70 SMN1; SMN2 (0.42) GPR35TSHRALDH1A1KDM4ETDP1
SCHEMBL18925062 0.69 TDP1 (0.49) GPR35TSHRALDH1A1TDP1CYP3A4
SCHEMBL19222047 0.69 NPSR1 (0.53) GPR35TSHRALDH1A1TDP1HTT
SCHEMBL24711215 0.68 MAPK1 (0.50) GPR35TSHRALDH1A1KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998056337-A1 MALODOR REDUCING COMPOSITION CONTAINING AMBER AND MUSK MATERIALS THE PROCTER & GAMBLE COMPANY (US) 1998-12-17 WO claimed
EP-3680289-B1 POLYMERIC COMPOSITION, POLYMER CAPSULE, AND FABRIC SOFTENER COMPOSITION INCLUDING SAME LG CHEMICAL LTD (KR) 2022-06-15 EP disclosed
CN-111065673-B Polymerizable composition, polymer capsule comprising the same, and fabric softener composition 株式会社LG化学 2021-10-01 CN disclosed
US-20080028670-A1 SILICONE ADDITIVES FOR COMPATALIZING ORGANIC COMPOUNDS WITH WAX MIXTURES GENERAL ELECTRIC COMPANY (US) 2008-02-07 US disclosed
US-20060254125-A1 Silicone additives for compatabilizing fragrances with wax candles MOMENTIVE PERFORMANCE MATERIALS INC. 2006-11-16 US disclosed
CN-1259042-A Styling shampoo compositions containing an odor masking base PROCTER & GAMBLE (US) 2000-07-05 CN disclosed
WO-1998056337-A1 MALODOR REDUCING COMPOSITION CONTAINING AMBER AND MUSK MATERIALS THE PROCTER & GAMBLE COMPANY (US) 1998-12-17 WO disclosed
US-4162221-A Synthetic musk-based composition, its production and applications SOCIETE DES PRODUITS CHIMIQUES ET MATIERES COLORANTES DE MULHOUSE (FR) 1979-07-24 US disclosed