SCHEMBL6745959

SCHEMBL6745959

O=C(O)CCCCCCCCCCCCC(=O)O.Oc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
MAPT P10636 2/20 0.50
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MMP3 P08254 1/20 0.48

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
Azelaic Acid SCHEMBL9777688 1.00 LMNA (0.55) LMNATSHRNFKB1PMP22MAPT
Sebacic Acid SCHEMBL6745956 1.00 LMNA (0.55) LMNATSHRNFKB1PMP22MAPT
Adipic Acid SCHEMBL19951471 0.88 LMNA (0.65) LMNATSHRNFKB1PMP22MAPT
SCHEMBL9511238 0.84 KMT2A (0.50) LMNAMAPTHDAC3HDAC4HDAC1
Azelaic Acid SCHEMBL28109737 0.84 HDAC3 (0.63) LMNATSHRNFKB1PMP22MAPT
Sebacic Acid SCHEMBL28538398 0.84 HDAC3 (0.63) LMNATSHRNFKB1PMP22MAPT
Phenol SCHEMBL4623314 0.84 HDAC3 (0.63) LMNATSHRNFKB1PMP22MAPT
Octanoic Acid SCHEMBL10937199 0.83 GPR84 (0.71) TSHRESR1HDAC11MEN1KMT2A
Palmitic Acid SCHEMBL10942082 0.83 GPR84 (0.71) TSHRESR1HDAC11MEN1KMT2A
Undecanoate SCHEMBL2382548 0.83 GPR84 (0.71) TSHRESR1HDAC11MEN1KMT2A

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
US-6696075-B2 HEATING BELOW GLASS TRANSITION TEMPERATURE; EXPOSURE TO PRESSURE; COOLING; BIODEGRADABLE POLYANHYDRIDES, POLYESTERS, POLYAMIDES, AND POLYAROMATICS; ENCAPSULATED TIME-RELEASE AGENTS BROWN UNIVERSITY RESEARCH FOUNDATION 2004-02-24 US disclosed
US-20030228367-A1 LIQUID CRYSTALLINE POLYMERS BROWN UNIVERSITY RESEARCH FOUNDATION 2003-12-11 US disclosed
WO-2001068745-A9 LIQUID CRYSTALLINE POLYMERS UNIV BROWN RES FOUND (US) 2003-01-03 WO disclosed
EP-1263916-A2 LIQUID CRYSTALLINE POLYMERS BROWN UNIVERSITY RESEARCH FOUNDATION (US) 2002-12-11 EP disclosed
US-20020155146-A1 LIQUID CRYSTALLINE POLYMERS BROWN UNIVERSITY RESEARCH FOUNDATION 2002-10-24 US disclosed
US-6465002-B1 INDUCING A THERMOPLASTIC POLYMER TO EXHIBIT LC PROPERTIES; HEATING ABOVE TG, PRESSURE GREATER THAN 2 METRIC TONS/IN2 FOR AT LEAST ONE MINUTE, COOLING BELOW THE TG WHILE MAINTAINING HIGH PRESSURE; ENCAPSULATE MEDICAL OR PHARMACEUTICAL AGENTS BROWN UNIVERSITY RESEARCH FOUNDATION 2002-10-15 US disclosed
WO-2001068745-A2 LIQUID CRYSTALLINE POLYMERS BROWN UNIVERSITY RESEARCH FOUNDATION (US) 2001-09-20 WO disclosed