SCHEMBL11779092

SCHEMBL11779092

BrC(COCC1CO1)C(Br)COCC1CO1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
TSHR P16473 5/20 0.50
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
TP53 P04637 4/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
GLA P06280 1/20 0.31

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
SCHEMBL13573127 0.86 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL11316605 0.85 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL23248792 0.80 TSHR (0.54) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL65567 0.80 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL36444 0.79 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL22592522 0.79 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL17011976 0.79 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL10080567 0.77 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL1263055 0.77
SCHEMBL49463 0.76 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3977996-A CHROMIUM (III) CARBOXYLATE, COCATALYST AEROJET-GENERAL CORPORATION (US) 1976-08-31 US disclosed
US-3978026-A SYNERGISTIC, CHROMIUMIII TRICARBOXYLATE, COCATALYST AEROJET-GENERAL CORPORATION (US) 1976-08-31 US disclosed
US-3962182-A CHROMIUMIII CARBOXYLATE CATALYST AEROJET-GENERAL CORPORATION (US) 1976-06-08 US disclosed
US-3956241-A CHROMIUM(III) CHELATE COMPOUND AEROJET-GENERAL CORPORATION (US) 1976-05-11 US disclosed