SCHEMBL8987205

SCHEMBL8987205

O=C(/C=C/c1ccccc1)c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.68
CYP1B1 Q16678 3/20 0.68
MAPT P10636 2/20 0.68
PLIN1 O60240 1/20 0.68
LMNA P02545 1/20 0.68
BCHE P06276 1/20 0.68
TNFRSF1A P19438 1/20 0.68
ACHE P22303 1/20 0.68
RECQL P46063 1/20 0.68
PLIN5 Q00G26 1/20 0.68
ABHD5 Q8WTS1 1/20 0.68
RELA Q04206 3/20 0.63
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59

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
SCHEMBL8987207 1.00 MAOB (0.68) MAOBCYP1B1MAPTPLIN1LMNA
SCHEMBL3836785 0.92 RELA (0.68) MAOBCYP1B1MAPTPLIN1LMNA
SCHEMBL3836781 0.92 RELA (0.68) MAOBCYP1B1MAPTPLIN1LMNA
SCHEMBL31326023 0.90 MAOB (0.68) MAOBCYP1B1MAPTPLIN1LMNA
SCHEMBL8878387 0.90 MAOB (0.68) MAOBCYP1B1MAPTPLIN1LMNA
SCHEMBL9779502 0.90 MAOB (0.68) MAOBCYP1B1MAPTPLIN1LMNA
SCHEMBL13203405 0.88 CYP1B1 (0.81) MAOBCYP1B1MAPTPLIN1LMNA
SCHEMBL5597988 0.87 RELA (0.66) MAOBCYP1B1MAPTBCHETNFRSF1A
SCHEMBL5597959 0.87 MAOB (0.59) MAOBCYP1B1MAPTPLIN1LMNA
SCHEMBL655982 0.86 RELA (0.84) MAOBCYP1B1MAPTTNFRSF1ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116284114-A Method for synthesizing chiral 1, 3-phosphine alcohol 陕西师范大学 2023-06-23 CN disclosed
CN-114805044-A Novel method for synthesizing dibromo compound 兰州大学 2022-07-29 CN disclosed
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed