SCHEMBL10349397

SCHEMBL10349397

CCCCCOCC(O)CCN1CCN(CCCCC)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
USP2 O75604 2/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
LPAR5 Q9H1C0 1/20 0.44
GNAI3 P08754 3/20 0.41
GNAO1 P09471 3/20 0.41
GNAI1 P63096 3/20 0.41
SPHK1 Q9NYA1 1/20 0.40
PLA2G2C Q5R387 2/20 0.38
GBA2 Q9HCG7 2/20 0.37

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
SCHEMBL10969690 0.84 USP2 (0.56) HTTUSP2KDM4EALDH1A1ALOX15
SCHEMBL10969687 0.84 USP2 (0.56) HTTUSP2KDM4EALDH1A1ALOX15
Iodide SCHEMBL10378669 0.84 USP2 (0.49) HTTUSP2CYP1A2CYP3A4CYP2C19
SCHEMBL11154509 0.84 HTT (0.50) HTTUSP2CYP1A2CYP3A4CYP2C19
SCHEMBL8253252 0.79 USP2 (0.45) HTTUSP2CYP1A2CYP3A4CYP2C19
SCHEMBL13924017 0.78 KDM4E (0.55) HTTUSP2CYP1A2CYP3A4CYP2C19
SCHEMBL19257794 0.77 USP2 (0.74) HTTUSP2CYP1A2CYP3A4CYP2C19
SCHEMBL11154511 0.77 KDM4E (0.58) HTTUSP2CYP1A2CYP3A4CYP2C19
SCHEMBL21581245 0.77 GNAI3 (0.50) USP2KDM4EGNAI3GNAO1GNAI1
SCHEMBL10511992 0.76 USP2 (0.71) HTTUSP2CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269383-A3 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1990-05-02 EP disclosed
EP-0269383-A3 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1990-05-02 EP disclosed
US-4882330-A 1-aryloxy-4-[((4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1989-11-21 US disclosed
US-4882330-A 1-aryloxy-4-[((4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A. H. ROBINS COMPANY, INCORPORATED (US) 1989-11-21 US disclosed
EP-0269383-A2 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-06-01 EP disclosed
EP-0269383-A2 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-06-01 EP disclosed
EP-0269383-A2 1-Aryloxy-4-[(4-aryl)-1-piperazinyl]-2-butanols useful as antiallergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-06-01 EP disclosed