SCHEMBL8580215

SCHEMBL8580215

CCC(CSCc1ccco1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 13/20 0.47
POLB P06746 6/20 0.47
MAPT P10636 7/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 5/20 0.44
KMT2A Q03164 4/20 0.44
USP2 O75604 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 4/20 0.44
MEN1 O00255 2/20 0.42
ALOX12 P18054 1/20 0.42
LMNA P02545 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL28694773 0.82 TSHR (0.52) TSHRALDH1A1POLBMAPTTDP1
SCHEMBL6578058 0.80 GRIK1 (0.49) TSHRALDH1A1POLBMAPTTDP1
SCHEMBL3931357 0.80 NR4A2 (0.47) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL2349071 0.79 TSHR (0.52) TSHRALDH1A1POLBMAPTTDP1
SCHEMBL2349074 0.79 TSHR (0.52) TSHRALDH1A1POLBMAPTTDP1
SCHEMBL8500824 0.76 CYP1A2 (0.53) ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL8500821 0.76 CYP1A2 (0.53) ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL10528046 0.76 TSHR (0.46) TSHRALDH1A1POLBMAPTNPC1
SCHEMBL30463810 0.75 ALDH1A1 (0.43) TSHRALDH1A1POLBMAPTTDP1
SCHEMBL31290369 0.73 ALDH1A1 (0.50) TSHRALDH1A1POLBMAPTTDP1

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-5800897-A Air freshener composition containing a fiber pad EASTMAN CHEMICAL COMPANY (US) 1998-09-01 US disclosed