Catechol

Catechol

SCHEMBL8463198

Cc1cc(C(C)(C)C)c([PH](O)(O)O)c(C(C)(C)C)c1.Oc1ccccc1O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TDP1 Q9NUW8 4/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 5/20 0.50
CA2 P00918 4/20 0.50
TYR P14679 2/20 0.50
POLB P06746 2/20 0.50
HSPA5 P11021 1/20 0.42
CYP2C9 P11712 4/20 0.41
HIF1A Q16665 4/20 0.41
CYP2C19 P33261 3/20 0.41
ALOX15 P16050 5/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
ATP2A2 P16615 1/20 0.40
ATP2A3 Q93084 1/20 0.40
HSD17B10 Q99714 4/20 0.38
LMNA P02545 2/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL1664851 0.86 ALDH1A1 (0.58) ALDH1A1TDP1TSHRSMN1; SMN2CA2
Butylated Hydroxytoluene SCHEMBL1446620 0.82 CA2 (0.75) ALDH1A1TDP1TSHRSMN1; SMN2CA2
Butylated Hydroxytoluene SCHEMBL2231438 0.78 ALDH1A1 (0.67) ALDH1A1TDP1TSHRSMN1; SMN2CA2
Butylated Hydroxytoluene SCHEMBL7590469 0.77 ALDH1A1 (0.72) ALDH1A1TDP1TSHRSMN1; SMN2CA2
SCHEMBL3995932 0.76 SMN1; SMN2 (0.47) ALDH1A1TSHRSMN1; SMN2CA2TYR
Pentane SCHEMBL31019457 0.76 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2CA2TYRPOLB
Butylated Hydroxytoluene SCHEMBL4558884 0.74 CA2 (0.67) ALDH1A1TDP1TSHRSMN1; SMN2CA2
Butylated Hydroxytoluene SCHEMBL9386302 0.74 CA2 (0.67) ALDH1A1TDP1TSHRSMN1; SMN2CA2
SCHEMBL29131685 0.73 ALDH1A1 (0.48) ALDH1A1TDP1TSHRSMN1; SMN2CA2
Butylated Hydroxytoluene SCHEMBL15789839 0.73 CA2 (0.72) ALDH1A1TDP1TSHRSMN1; SMN2CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577816-B1 POLYSILANE-BASED COMPOSITION FLAMEL TECH SA (FR) 1999-04-07 EP claimed
US-5556901-A FORMING SILICON CARBIDE FROM POLYSILANE AND ANTIOXIDANT SYSTEM FLAMEL TECHNOLOGIES (FR) 1996-09-17 US claimed
EP-0577816-A1 POLYSILANE-BASED COMPOSITION FLAMEL TECHNOLOGIES, Société Anonyme (FR) 1994-01-12 EP claimed
WO-1993014164-A1 POLYSILANE-BASED COMPOSITION S.A. FLAMEL TECHNOLOGIES (FR) 1993-07-22 WO claimed
EP-0577816-B1 POLYSILANE-BASED COMPOSITION FLAMEL TECH SA (FR) 1999-04-07 EP disclosed
US-5556901-A FORMING SILICON CARBIDE FROM POLYSILANE AND ANTIOXIDANT SYSTEM FLAMEL TECHNOLOGIES (FR) 1996-09-17 US disclosed
EP-0577816-A1 POLYSILANE-BASED COMPOSITION FLAMEL TECHNOLOGIES, Société Anonyme (FR) 1994-01-12 EP disclosed
WO-1993014164-A1 POLYSILANE-BASED COMPOSITION S.A. FLAMEL TECHNOLOGIES (FR) 1993-07-22 WO disclosed