SCHEMBL6063979

SCHEMBL6063979

CCc1c(C=CC(=O)c2ccccc2)ccc(O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.55
CAPN1 P07384 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
MAPT P10636 6/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
LMNA P02545 2/20 0.48
BCHE P06276 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
PLIN1 O60240 1/20 0.46
TNFRSF1A P19438 1/20 0.46
ACHE P22303 1/20 0.46
MAOB P27338 1/20 0.46
RECQL P46063 1/20 0.46
PLIN5 Q00G26 1/20 0.46
CYP1B1 Q16678 1/20 0.46
ABHD5 Q8WTS1 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6678566 0.83 ESR1 (0.48) TYRMAPTLMNAHPGDALDH1A1
SCHEMBL6668620 0.83 ESR1 (0.48) TYRMAPTLMNAHPGDALDH1A1
SCHEMBL23610336 0.82 TYR (0.64) TYRCAPN1CTSLCTSBMAPT
SCHEMBL471834 0.82 TYR (0.64) TYRCAPN1CTSLCTSBMAPT
SCHEMBL28069016 0.81 MAOB (0.47) MAPTHPGDMAOBALDH1A1KMT2A
SCHEMBL27928254 0.80 NPC1 (0.48) TYRMAPTRAB9ANPC1LMNA
SCHEMBL28850923 0.79 MAPT (0.54) TYRMAPTRAB9ANPC1LMNA
SCHEMBL7191588 0.78 TYR (0.59) TYRCAPN1CTSLCTSBMAPT
SCHEMBL7191590 0.78 TYR (0.59) TYRCAPN1CTSLCTSBMAPT
SCHEMBL20608568 0.77 NPC1 (0.58) TYRCAPN1CTSLCTSBMAPT

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-1641903-A1 EXTRACTION METHOD OF ACTIVE MOLECULAR STRUCTURES FROM NATURAL RESINS AND/OR ESSENTIAL OILS Calegaro Silver Sarda S.R.L. (IT) 2006-04-05 EP disclosed
WO-2005005583-A1 EXTRACTION METHOD OF ACTIVE MOLECULAR STRUCTURES FROM NATURAL RESINS AND/OR ESSENTIAL OILS CALEGARO SILVER SARDA S.R.L. (IT) 2005-01-20 WO disclosed