SCHEMBL7940672

SCHEMBL7940672

CC(C)(c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALPG P10696 1/20 0.51
SRD5A2 P31213 3/20 0.50
ALDH1A1 P00352 3/20 0.50
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ELANE P08246 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KCNN4 O15554 2/20 0.47
LTA4H P09960 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7716847 0.93 LTA4H (0.53) HPGDLMNASMN1; SMN2ALPGSRD5A2
SCHEMBL11420172 0.91 ALDH1A1 (0.61) HPGDLMNASRD5A2ALDH1A1ELANE
SCHEMBL27483853 0.84 ALDH1A1 (0.70) HPGDLMNASMN1; SMN2ALPGSRD5A2
Benzene SCHEMBL27709388 0.84 ALDH1A1 (0.70) HPGDLMNASMN1; SMN2ALPGSRD5A2
SCHEMBL17068941 0.84 ALDH1A1 (0.70) HPGDLMNASMN1; SMN2ALPGSRD5A2
SCHEMBL251921 0.84 ALDH1A1 (0.70) HPGDLMNASMN1; SMN2ALPGSRD5A2
SCHEMBL7940606 0.84 ALDH1A1 (0.70) HPGDLMNASMN1; SMN2ALPGSRD5A2
SCHEMBL7938401 0.84 ESR1 (0.68) HPGDLMNASRD5A2ALDH1A1HTT
SCHEMBL7373156 0.82 ALDH1A1 (0.67) HPGDLMNASMN1; SMN2ALPGSRD5A2
SCHEMBL13978732 0.82 POLB (0.44) LMNASMN1; SMN2SRD5A2ALDH1A1HTT

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
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed