SCHEMBL7435567

SCHEMBL7435567

O=C(c1ccc(C(F)(F)F)cc1)N1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.46
EPHX2 P34913 2/20 0.44
EPHX1 P07099 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD11B1 P28845 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
PRMT5 O14744 5/20 0.41
SFRP1 Q8N474 1/20 0.41
MGLL Q99685 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
LTA4H P09960 2/20 0.40

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
SCHEMBL7438375 0.90 DRD3 (0.49) EPHX2GAAHSD11B1PRMT5MEN1
SCHEMBL7435319 0.90 EPHX1 (0.47) EPHX2EPHX1PRMT5MEN1KMT2A
SCHEMBL7436670 0.88 NPC1 (0.44) EPHX2PRMT5MGLLMEN1KMT2A
SCHEMBL7438480 0.88 LMNA (0.44) EPHX2PRMT5MEN1KMT2ALTA4H
SCHEMBL7440526 0.85 GAA (0.46) EPHX2GAAHSD11B1PRMT5KMT2A
SCHEMBL7438639 0.84 ALDH1A1 (0.47) GAAHSD11B1MEN1KMT2AHPGD
SCHEMBL7432904 0.83 LTA4H (0.44) MGLLKMT2AHPGDLTA4H
SCHEMBL7434769 0.83 LTA4H (0.40) GAAKMT2AHPGDLTA4H
SCHEMBL7430176 0.82 TEAD1 (0.44) TEAD1GAALTA4H
SCHEMBL7431389 0.82 HPGD (0.51) MEN1KMT2AHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed