SCHEMBL6447696

SCHEMBL6447696

CCCC(C)(C)/C(=C/c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
AKR1C1 Q04828 1/20 0.41
RECQL P46063 1/20 0.40
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.39
PPARA Q07869 1/20 0.38
NR1I2 O75469 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
GLA P06280 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
ELANE P08246 1/20 0.37

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
SCHEMBL6447697 1.00 AKR1C3 (0.46) AKR1C3LMNAMEN1KMT2ATDP1
SCHEMBL525211 0.78 AKR1C3 (0.55) AKR1C3LMNAMEN1KMT2ATDP1
SCHEMBL525210 0.78 AKR1C3 (0.55) AKR1C3LMNAMEN1KMT2ATDP1
SCHEMBL30466153 0.78 LMNA (0.49) AKR1C3LMNAMEN1KMT2ATDP1
SCHEMBL11528100 0.74 TDP1 (0.48) AKR1C3LMNAMEN1KMT2ATDP1
SCHEMBL1524596 0.74 ELANE (0.33) LMNAMEN1KMT2ATDP1ALDH1A1
SCHEMBL28349681 0.74 KMT2A (0.50) AKR1C3MEN1KMT2ACYP3A4CYP2C9
SCHEMBL2774413 0.74 AKR1C3 (0.50) AKR1C3MEN1KMT2ACYP3A4CYP2C9
SCHEMBL225383 0.72 AKR1C3 (0.57) AKR1C3LMNAMEN1KMT2ACYP3A4
SCHEMBL7593618 0.72 MEN1 (0.43) AKR1C3LMNAMEN1KMT2ATDP1

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-1551885-A2 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M Innovative Properties Company (US) 2005-07-13 EP disclosed
WO-2004013189-A2 PROCESS TO MODIFY POLYMERIC MATERIALS AND RESULTING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-02-12 WO disclosed