SCHEMBL9750096

SCHEMBL9750096

Oc1ccc(SCCCCCCSc2ccc(O)c(Cl)c2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.45
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP19A1 P11511 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CA2 P00918 4/20 0.41
CA1 P00915 1/20 0.41
DAO P14920 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR2 Q92731 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
SCHEMBL9554829 0.93 CA2 (0.50) THRBTSHRHSD17B10CYP19A1HDAC3
SCHEMBL9143375 0.92 THRB (0.55) THRBCYP19A1CA2CA1
SCHEMBL3719385 0.83 CA2 (0.43) THRBTSHRHSD17B10CYP19A1CA2
SCHEMBL9808044 0.81 TDP1 (0.51) THRBHSD17B10CYP19A1HDAC3HDAC4
SCHEMBL9808068 0.78 TDP1 (0.38) THRBCYP19A1CA2TDP1MEN1
SCHEMBL3723662 0.78 HSD17B10 (0.50) TSHRHSD17B10CYP19A1CA2CA1
SCHEMBL9808327 0.78 TSHR (0.41) THRBTSHRHSD17B10CYP19A1CA2
SCHEMBL9808079 0.77 HPGD (0.51) HSD17B10HDAC3HDAC4HDAC1HDAC7
SCHEMBL9808195 0.77 HTT (0.52) HSD17B10CA2CA1TDP1KMT2A
SCHEMBL9750261 0.77 ESR1 (0.44) THRBCA2TDP1ESR2

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
US-5126486-A Color developers for leuco dyes in thermal printing RICOH COMPANY, LTD. (JP) 1992-06-30 US disclosed
US-4978651-A With a colorless or light colored leuco dye for inducing color formation RICOH COMPANY, LTD. (JP) 1990-12-18 US disclosed