SCHEMBL3273344

SCHEMBL3273344

CC(Cc1ccccc1)C(C)(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MDM2 Q00987 1/20 0.48
CYP1A2 P05177 1/20 0.48
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
TRPA1 O75762 1/20 0.46
SLC6A2 P23975 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CTRB1 P17538 3/20 0.45

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
SCHEMBL638422 0.83 NPC1 (0.49) NPC1RAB9AMDM2CYP1A2ALPI
SCHEMBL29826678 0.82 MMP1 (0.54) NPC1RAB9A
SCHEMBL4192944 0.82 CTRB1 (0.51) NPC1RAB9AMDM2CYP1A2CTRB1
SCHEMBL16691534 0.82 CTRB1 (0.51) NPC1RAB9AMDM2CYP1A2CTRB1
SCHEMBL586262 0.81 TSHR (0.51) NPC1RAB9ACTRB1HPGD
SCHEMBL27644703 0.81 NPC1 (0.47) NPC1RAB9ACYP1A2ALPIPKM
SCHEMBL27760121 0.81 GRB2 (0.45)
SCHEMBL2288262 0.81 MDM2 (0.48) NPC1RAB9AMDM2CYP1A2ALPI
SCHEMBL17698900 0.80 NPC1 (0.46) NPC1RAB9ACYP1A2ALPIPKM
SCHEMBL31488567 0.79 MDM2 (0.47) NPC1RAB9AMDM2CYP1A2ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601866-B Silicone adhesive composition, cured product, adhesive film, and adhesive tape 信越化学工业株式会社 2022-09-06 CN disclosed
EP-1920042-B1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL AG & CO KGAA (DE) 2010-06-23 EP disclosed
EP-2046929-A1 LIQUID SUPPORT Henkel AG & Co. KGaA (DE) 2009-04-15 EP disclosed
EP-2038391-A1 WASHING, CLEANING AND CARE PRODUCTS Henkel AG & Co. KGaA (DE) 2009-03-25 EP disclosed
WO-2008116509-A1 CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2008-10-02 WO disclosed
EP-1928992-A1 CONSUMER PRODUCTS HAVING VARYING ODORS Henkel AG & Co. KGaA (DE) 2008-06-11 EP disclosed
WO-2008012140-A1 LIQUID SUPPORT HENKEL AG & CO. KGAA (DE) 2008-01-31 WO disclosed
WO-2008003631-A1 WASHING, CLEANING AND CARE PRODUCTS HENKEL AG & CO. KGAA (DE) 2008-01-10 WO disclosed
WO-2007118747-A1 AQUEOUS CLEANING AGENT CONTAINING PERFUME HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed