SCHEMBL2634073

SCHEMBL2634073

COP(=O)(O)CCCCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
KCNH2 Q12809 3/20 0.48
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 3/20 0.45
EPHX1 P07099 1/20 0.44
KCNJ1 P48048 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CDC25C P30307 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL358712 0.77 KCNH2 (0.54) AKR1C3KCNH2TSHRMAPTRAB9A
SCHEMBL18913824 0.76 TSHR (0.69) KCNH2TSHRALDH1A1KCNJ1POLB
SCHEMBL9697857 0.76 AKR1C3 (0.47) AKR1C3KCNH2TSHRMAPTRAB9A
SCHEMBL9954935 0.75 KCNH2 (0.51) AKR1C3KCNH2TSHRMAPTALDH1A1
SCHEMBL8100019 0.74 SRD5A2 (0.61) KCNH2TSHRMAPTRAB9AALDH1A1
SCHEMBL25174460 0.74 KCNH2 (0.77) KCNH2TSHRMAPTALDH1A1KCNJ1
SCHEMBL8743949 0.74 KCNH2 (0.77) KCNH2TSHRMAPTALDH1A1KCNJ1
SCHEMBL1881781 0.74 KCNH2 (0.77) KCNH2TSHRMAPTALDH1A1KCNJ1
SCHEMBL4190401 0.74 KCNH2 (0.77) KCNH2TSHRMAPTALDH1A1KCNJ1
SCHEMBL6455031 0.74 TSHR (0.72) KCNH2TSHRALDH1A1EPHX1KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018447-A1 STORAGE-STABLE LIQUID DETERGENT OR CLEANING AGENT CONTAINING PROTEASE AND LIPASE BASF SE (DE) 2024-01-18 US disclosed
US-20180163160-A1 STORAGE-STABLE LIQUID DETERGENT OR CLEANING AGENT CONTAINING PROTEASE AND LIPASE BASF SE (DE) 2018-06-14 US disclosed
EP-2569409-B1 STORAGE-STABLE LIQUID DETERGENT OR CLEANING AGENT CONTAINING PROTEASE AND LIPASE BASF SE (DE) 2015-11-25 EP disclosed
US-20130071910-A1 STORAGE-STABLE LIQUID DETERGENT OR CLEANING AGENT CONTAINING PROTEASE AND LIPASE HENKEL AG & CO. KGAA (DE) 2013-03-21 US disclosed
EP-2569409-A2 STORAGE-STABLE LIQUID DETERGENT OR CLEANING AGENT CONTAINING PROTEASE AND LIPASE Henkel AG & Co. KGaA (DE) 2013-03-20 EP disclosed
WO-2011141358-A2 STORAGE-STABLE LIQUID DETERGENT OR CLEANING AGENT CONTAINING PROTEASE AND LIPASE HENKEL AG & CO. KGAA (DE) 2011-11-17 WO disclosed