SCHEMBL1856007

SCHEMBL1856007

O=C(S)CCCCCCCCCCCS

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.57
HDAC3 O15379 12/20 0.42
HDAC1 Q13547 12/20 0.42
HDAC10 Q969S8 11/20 0.42
HDAC11 Q96DB2 11/20 0.42
HDAC2 Q92769 11/20 0.42
HDAC8 Q9BY41 11/20 0.42
HDAC6 Q9UBN7 11/20 0.42
HDAC5 Q9UQL6 10/20 0.41
HDAC4 P56524 9/20 0.41
HDAC7 Q8WUI4 9/20 0.41
HDAC9 Q9UKV0 9/20 0.41
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.33

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
SCHEMBL2634003 1.00 FOLH1 (0.57) FOLH1HDAC3HDAC1HDAC10HDAC11
SCHEMBL19741462 1.00 FOLH1 (0.57) FOLH1HDAC3HDAC1HDAC10HDAC11
SCHEMBL27630947 0.97
SCHEMBL1402745 0.88
SCHEMBL27712598 0.87 TSHR (0.47) FOLH1HDAC3HDAC1HDAC11HDAC2
SCHEMBL28138992 0.87 TSHR (0.47) FOLH1HDAC3HDAC1HDAC11HDAC2
SCHEMBL28065031 0.87 TSHR (0.47) FOLH1HDAC3HDAC1HDAC11HDAC2
SCHEMBL27924265 0.84 TSHR (0.44) FOLH1HDAC3HDAC1HDAC11HDAC2
SCHEMBL11348207 0.84 LMNA (0.44) FOLH1HDAC3HDAC1HDAC11HDAC2
SCHEMBL27924266 0.81 LMNA (0.41) FOLH1HDAC3HDAC1HDAC11HDAC2

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-20110100440-A1 Optical Rectification Device and Method of Making Same WILLIAM MARSH RICE UNIVERSITY (US) 2011-05-05 US disclosed