SCHEMBL9842402

SCHEMBL9842402

CC[C@H]1CC[C@H](c2cc(-c3ccc(F)cc3F)ccc2C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
DHFR P00374 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50
ALB P02768 1/20 0.50
HMGB1 P09429 1/20 0.50
HPGD P15428 1/20 0.50
CXCL12 P48061 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
ACMSD Q8TDX5 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CAMKK2 Q96RR4 12/20 0.42
CAMKK1 Q8N5S9 10/20 0.42

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
SCHEMBL9842453 0.91 TTR (0.48) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL9842807 0.89 TTR (0.46) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL9842727 0.88 TTR (0.46) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL9842652 0.87 TTR (0.45) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL9842361 0.85 RARB (0.38) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL9842489 0.84 TTR (0.46) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL5837226 0.83 PTGDR2 (0.40) CAMKK2CAMKK1
SCHEMBL5836884 0.83 PTGDR2 (0.40) CAMKK2CAMKK1
SCHEMBL9842723 0.82 TTR (0.44) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL9842253 0.81 KDM4E (0.43) TTRKDM4EMEN1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed