SCHEMBL11288679

SCHEMBL11288679

COc1cc(C)ccc1C(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
TYR P14679 1/20 0.45
LPAR1 Q92633 4/20 0.43
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 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
SCHEMBL11399634 0.83 CA12 (0.47) ACHETYRLPAR1ALDH1A1TDP1
SCHEMBL19665104 0.81 ACHE (0.46) ACHELPAR1ALDH1A1TDP1MEN1
SCHEMBL19433101 0.81 TYR (0.65) ACHETYRALDH1A1TSHRSMN1; SMN2
SCHEMBL5941442 0.81 IDO1 (0.56) ACHETYRALDH1A1TDP1TSHR
SCHEMBL28670888 0.81 IDO1 (0.56) ACHETYRALDH1A1TDP1TSHR
Hydrochloric Acid SCHEMBL17871836 0.80 IDO1 (0.45) ACHELPAR1ALDH1A1TDP1MEN1
SCHEMBL29486481 0.78 TYR (0.50) TYRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL28682080 0.78 TYR (0.50) TYRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL439493 0.78 TYR (0.50) TYRALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL4619827 0.78 MEN1 (0.45) LPAR1ALDH1A1MEN1KMT2AMAPT

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
EP-0057740-A1 Pressure sensitive recording sheets DIAMOND SHAMROCK CORPORATION (US) 1982-08-18 EP disclosed
US-4275906-A Pressure sensitive recording sheets DIAMOND SHAMROCK CORPORATION (US) 1981-06-30 US disclosed