SCHEMBL8617310

SCHEMBL8617310

CC(C)(C)c1ccc([S])c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1I2 O75469 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.37
TYR P14679 2/20 0.37
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8005715 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL11765960 0.78 TSHR (0.46) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29630132 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL779415 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL4457738 0.76 ALDH1A1 (0.44) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL2357462 0.75 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29763177 0.75 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL9205659 0.74 ALDH1A1 (0.61) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL1927914 0.73 TSHR (0.46) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL30786333 0.73 TSHR (0.46) ALDH1A1ALOX15HSD17B10HPGDTDP1

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-5776656-A MULTILAYER WITH DIFFERENT OPTICAL CONSTANTS, CYANINE DYES, COMPLEX INDEX OF REFRACTION TDK CORPORATION (JP) 1998-07-07 US disclosed
US-4609618-A STABLY DISPERSED CYAN COUPLER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1986-09-02 US disclosed