SCHEMBL8569113

SCHEMBL8569113

CC(=O)C1(CCC(=O)OCc2ccccc2)CCCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
NOTUM Q6P988 1/20 0.40
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 1/20 0.38

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
SCHEMBL8568639 0.85 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL8566451 0.82 FABP7 (0.41) ALDH1A1
SCHEMBL8572306 0.81 PARP1 (0.36) ALDH1A1LMNAKDM4E
SCHEMBL3696556 0.75 DDB1 (0.49) DDB1CRBNCTSBCTSSCTSL
SCHEMBL8565163 0.75 TP53 (0.30)
SCHEMBL17775400 0.74 PTPN1 (0.31) ALDH1A1
SCHEMBL10801425 0.74 DDB1 (0.41) ALDH1A1LMNAKDM4EDDB1CRBN
SCHEMBL8779517 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1LMNADDB1
SCHEMBL7442298 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1LMNADDB1
SCHEMBL25517186 0.74 TSHR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35865-E Preparation of glutaric acid derivatives PFIZER INC. (US) 1998-07-28 US disclosed
US-5714628-A CARBOXYLATION A CYCLOHEXANONES TO A CYCLOPENTANECARBOXYLIC ACIDS WITH HYDROGEN PEROXIDE PFIZER, INC. (US) 1998-02-03 US disclosed
EP-0391673-B2 Preparation of glutaric acid derivatives PFIZER LTD (GB) 1997-04-02 EP disclosed
US-5166406-A Peroxidation of cyclohexanone derivatives PFIZER INC. (US) 1992-11-24 US disclosed
EP-0391673-A1 Preparation of glutaric acid derivatives Pfizer Limited (GB) 1990-10-10 EP disclosed