SCHEMBL7702123

SCHEMBL7702123

CCCCC#Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
PTGS2 P35354 3/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
LMNA P02545 4/20 0.39
TSHR P16473 4/20 0.39
GAA P10253 3/20 0.39
RECQL P46063 2/20 0.38
MAPT P10636 4/20 0.38
ALOX15 P16050 3/20 0.38
HPN P05981 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 3/20 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
SCHEMBL2841040 0.81 ALDH1A1 (0.42) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL28555537 0.75 CA2 (0.41) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL30150307 0.73 NR5A2 (0.38) SMN1; SMN2LMNATSHRMAPTCYP1A2
SCHEMBL7031654 0.73 FFAR1 (0.50) ALDH1A1PTGS2PTGS1LMNACYP3A4
SCHEMBL5804625 0.72 GPR84 (0.48) TYRALOX5TSHRMAPTALOX15
SCHEMBL8848221 0.72 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL11612127 0.72 NR5A2 (0.38) SMN1; SMN2PTGS2ALOX5PTGS1LMNA
SCHEMBL29216781 0.71 CA2 (0.40) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL29216782 0.71 CA2 (0.40) CA2CA1ALDH1A1SMN1; SMN2POLB
SCHEMBL29216783 0.71 CA2 (0.40) CA2CA1ALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4708966-A SUBSTITUTED DI-TERT-BUTYL PHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1987-11-24 US claimed
CN-118078513-A Ostomy insert based on laser scanning technology and processing method and using method thereof 飞鱼(山西)数字产业科技有限公司 2024-05-28 CN disclosed
US-6420428-B1 TREATING HEPATITIS C AND HEPATIC FIBROSIS USING 2,6-DI-TERT-BUTYLPHENOL DERIVATIVES; EFFECTIVE IN SUBJECTS WITH INTERFERON INSUSCEPTIBILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-07-16 US disclosed
US-6369097-B1 Treatment and prevention of hepatic disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-04-09 US disclosed
US-6348493-B1 TREATMENT OF HEPATITIS C BY ADMINISTERING 2,6-DI-TER-BUTYLPHENOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-02-19 US disclosed
US-6218437-B1 ADMINISTERING A THERAPEUTIC AMOUNT OF DI-TERT-BUTYLPHENOL DERIVATIVE TO SUBJECT UNDER CONDITIONS SUCH THAT SAID SYMPTOMS ARE DIMINISHED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-04-17 US disclosed
WO-2001021166-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-29 WO disclosed
EP-0251408-B1 NOVEL ANTI-INFLAMMATORY AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR REDUCING INFLAMMATION THE PROCTER & GAMBLE COMPANY (US) 1991-04-17 EP disclosed
US-4708966-A SUBSTITUTED DI-TERT-BUTYL PHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1987-11-24 US disclosed