SCHEMBL11299608

SCHEMBL11299608

ClCC(Cl)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CYP1A2 P05177 1/20 0.34
LTA4H P09960 1/20 0.33
KCNA3 P22001 1/20 0.33
KIF11 P52732 3/20 0.33
MAPK1 P28482 1/20 0.32
RIPK1 Q13546 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KCNN4 O15554 1/20 0.31
CA4 P22748 1/20 0.31
TAAR1 Q96RJ0 2/20 0.30
RECQL P46063 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL11424839 0.82 TSHR (0.39) TSHRCYP1A2LTA4HKCNA3KIF11
SCHEMBL16782648 0.76 LTA4H (0.38) TSHRLTA4HKCNA3RIPK1ALDH1A1
SCHEMBL29071119 0.73 TSHR (0.48) TSHRCYP1A2LTA4HKCNA3KIF11
SCHEMBL9798410 0.73 TSHR (0.48) TSHRCYP1A2LTA4HKCNA3KIF11
SCHEMBL29222025 0.72 ALDH1A1 (0.35) TSHRLTA4HKCNA3MAPK1RIPK1
SCHEMBL4616313 0.70 TSHR (0.45) TSHRCYP1A2KIF11MAPK1ALDH1A1
SCHEMBL11419517 0.70 TSHR (0.45) TSHRCYP1A2KIF11MAPK1ALDH1A1
SCHEMBL16793318 0.70 TSHR (0.44) TSHRCYP1A2LTA4HKIF11MAPK1
SCHEMBL3924740 0.70 LTA4H (0.36) TSHRLTA4HKCNA3RIPK1ALDH1A1
SCHEMBL53548 0.69 TSHR (0.45) TSHRCYP1A2LTA4HKCNA3ALDH1A1

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
EP-0057600-A2 Affinity resins and their use in isolating bacterial luciferase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1982-08-11 EP claimed