SCHEMBL7573099

SCHEMBL7573099

CCCCCCCCCCCCC(Br)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
CSNK1E P49674 1/20 0.44
CYP19A1 P11511 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
NAAA Q02083 2/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
KCNH2 Q12809 2/20 0.41
ASAH1 Q13510 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ACER2 Q5QJU3 1/20 0.40

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
SCHEMBL27806681 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL27692872 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL11806604 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL2404354 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL6681848 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL6685358 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL14636124 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL8728015 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL22734895 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL28516127 0.98 HTR2A (0.44) HTR2ACSNK1ECYP19A1SIGMAR1NAAA

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-0868469-B1 A METHOD OF LOWERING THE WAX APPEARANCE TEMPERATURE OF CRUDE OIL CONTAING WAX BP EXPLORATION OPERATING (GB) 2002-09-04 EP disclosed
US-20010056164-A1 Inhibitors and their uses in oils BP EXPLORATION OPERATING COMPANY LIMITED 2001-12-27 US disclosed
US-6140276-A REDUCING DEPOSITION OF WAX FROM CRUDE OIL BY ADDING A POLYALKYLENEIMINE HAVING A HYDROXY-SUBSTITUTED ALKYL GROUP OF 12-CARBON ATOMS BONDED TO AN N ATOM DIRECTLY, OR VIA AN ETHER OXYGEN OR SULFONYL INTERMEDIATE GROUP; FOR PIPELINES BP EXPLORATION OPERATING COMPANY LIMITED (GB) 2000-10-31 US disclosed
EP-0868469-A1 WAX DEPOSIT INHIBITORS BP EXPLORATION OPERATING COMPANY LIMITED (GB) 1998-10-07 EP disclosed
WO-1998021446-A1 INHIBITORS AND THEIR USES IN OILS BP EXPLORATION OPERATING COMPANY LIMITED (GB) 1998-05-22 WO disclosed
WO-1997023547-A1 WAX DEPOSIT INHIBITORS BP EXPLORATION OPERATING COMPANY LIMITED (GB) 1997-07-03 WO disclosed
US-4261925-A Surfactants THE DOW CHEMICAL COMPANY (US) 1981-04-14 US disclosed